SCHEMBL4450337

SCHEMBL4450337

CCCCC/C=C\C/C=C\CCCCCCC(O)[C]1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
FABP3 P05413 3/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN7 P35236 1/20 0.47
FFAR1 O14842 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 1/20 0.47
FABP4 P15090 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
GNA15 P30679 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2722282 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL2621464 0.80 TRPV1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL15317873 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL2722281 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL12186743 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL6037208 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL21197439 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL21197440 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL20603893 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3
SCHEMBL44603 0.80 FFAR1 (0.57) ALDH1A1KDM4EF7F3FABP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114949237-A Vesicle 斯昆申技术控股有限责任公司 2022-08-30 CN disclosed
US-20210393655-A1 Vesicular Formulations for Use in the Treatment of Pain or Reduced Mobility of a Joint SEQUESSOME TECHNOLOGY HOLDINGS LIMITED (MT) 2021-12-23 US disclosed
US-20150132349-A1 Vesicular Formulations, Kits and Uses SEQUESSOME TECHNOLOGY HOLDINGS LIMITED (MT) 2015-05-14 US disclosed
US-20120177698-A1 AGGREGATES WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN CEVC GREGOR (DE) 2012-07-12 US disclosed
US-20090155235-A1 AGGREGATES WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN IDEA AG (DE) 2009-06-18 US disclosed
US-20090060990-A1 NSAID FORMULATIONS, BASED ON HIGHLY ADAPTABLE AGGREGATES, FOR IMPROVED TRANSPORT THROUGH BARRIERS AND TOPICAL DRUG DELIVERY IDEA AG (DE) 2009-03-05 US disclosed
US-20090060989-A1 NSAID FORMULATIONS, BASED ON HIGHLY ADAPTABLE AGGREGATES, FOR IMPROVED TRANSPORT THROUGH BARRIERS AND TOPICAL DRUG DELIVERY IDEA AG (DE) 2009-03-05 US disclosed
US-20090042989-A1 NSAID FORMULATIONS, BASED ON HIGHLY ADAPTABLE AGGREGATES, FOR IMPROVED TRANSPORT THROUGH BARRIERS AND TOPICAL DRUG DELIVERY IDEA AG (DE) 2009-02-12 US disclosed
US-7473432-B2 NSAID formulations, based on highly adaptable aggregates, for improved transport through barriers and topical drug delivery IDEA AG (DE) 2009-01-06 US disclosed
EP-1551370-B1 AGGREGATE WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN IDEA AG (DE) 2007-12-19 EP disclosed
EP-1829527-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-09-05 EP disclosed
EP-1829528-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-09-05 EP disclosed
EP-1815846-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-08-08 EP disclosed
EP-1815847-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-08-08 EP disclosed
US-20070031483-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin CEVC GREGOR 2007-02-08 US disclosed
EP-1551370-A1 AGGREGATE WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN IDEA AG (DE) 2005-07-13 EP disclosed
US-20040105881-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2004-06-03 US disclosed
WO-2004032900-A1 AGGREGATE WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN IDEA AG (DE) 2004-04-22 WO disclosed
US-20040071767-A1 NSAID formulations, based on highly adaptable aggregates, for improved transport through barriers and topical drug delivery IDEA AG (DE) 2004-04-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040071767-A1 NSAID formulations, based on highly adaptable aggregates, for improved transport through barriers and topical drug delivery SLC43A1, TRPV2, TRPA1 ALDH1A1 3692/4885KDM4E 4780/4885F7 3094/4885
US-20090060989-A1 NSAID FORMULATIONS, BASED ON HIGHLY ADAPTABLE AGGREGATES, FOR IMPROVED TRANSPORT THROUGH BARRIERS AND TOPICAL DRUG DELIVERY SLC43A1, TRPV2, TRPA1 ALDH1A1 3692/4885KDM4E 4780/4885F7 3094/4885
US-20070031483-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin CUTA, ABCG2, PIGS ALDH1A1 2042/4885KDM4E 2732/4885F7 1256/4885
US-20120177698-A1 AGGREGATES WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN CUTA, ABCG2, ABCB11 ALDH1A1 2195/4885KDM4E 1985/4885F7 1980/4885
US-20040105881-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin CUTA, ABCG2, PIGS ALDH1A1 2042/4885KDM4E 2732/4885F7 1256/4885
US-20090042989-A1 NSAID FORMULATIONS, BASED ON HIGHLY ADAPTABLE AGGREGATES, FOR IMPROVED TRANSPORT THROUGH BARRIERS AND TOPICAL DRUG DELIVERY SLC43A1, TRPV2, TRPA1 ALDH1A1 3692/4885KDM4E 4780/4885F7 3094/4885
US-20090060990-A1 NSAID FORMULATIONS, BASED ON HIGHLY ADAPTABLE AGGREGATES, FOR IMPROVED TRANSPORT THROUGH BARRIERS AND TOPICAL DRUG DELIVERY SLC43A1, TRPV2, TRPA1 ALDH1A1 3692/4885KDM4E 4780/4885F7 3094/4885
US-20090155235-A1 AGGREGATES WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN CUTA, ABCG2, PIGS ALDH1A1 1958/4885KDM4E 2669/4885F7 1302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.