SCHEMBL1018909

SCHEMBL1018909

CCCCCCCCCCC(O)[C]1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.45
SPHK1 Q9NYA1 2/20 0.45
FFAR1 O14842 2/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FDPS P14324 1/20 0.40

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
SCHEMBL4450337 0.84 ALDH1A1 (0.47) FFAR1LMNAKDM4ECYP3A4FFAR4
SCHEMBL4441750 0.79 LMNA (0.52) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL1133423 0.74 LMNA (0.38) GPR84SPHK1FFAR1LMNAMAPT
SCHEMBL27460058 0.74 LMNA (0.52) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL27843870 0.72 GPR84 (0.50) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL23789287 0.71 FFAR1 (0.67) GPR84SPHK1FFAR1LMNAFFAR4
SCHEMBL22805015 0.71 SPHK1 (0.68) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL22804708 0.71 SPHK1 (0.68) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL22804812 0.71 SPHK1 (0.68) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL22804810 0.71 SPHK1 (0.68) GPR84SPHK1FFAR1LMNACYP2D6

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838936-B2 2011-12-14 JP claimed
US-7591949-B2 Method for the improvement of transport across adaptable semi-permeable barriers IDEA AG (DE) 2009-09-22 US claimed
US-20070184114-A1 Formulation for topical non-invasive application in vivo IDEA AG (DE) 2007-08-09 US claimed
US-20050123897-A1 Method for the improvement of transport across adaptable semi-permeable barriers IDEA AG 2005-06-09 US claimed
EP-1140021-B1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG (DE) 2004-08-04 EP claimed
US-20030099694-A1 Method for the improvement of transport across adaptable semi-permeable barriers IDEA AG (DE) 2003-05-29 US claimed
JP-2002533379-A 2002-10-08 JP claimed
US-20020064524-A1 Formulation for topical non-invasive application in vivo IDEA AG (DE) 2002-05-30 US claimed
EP-1189598-A1 A METHOD FOR THE IMPROVEMENT OF TRANSPORT ACROSS ADAPTABLE SEMI-PERMEABLE BARRIERS IDEA AG (DE) 2002-03-27 EP claimed
EP-1140021-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG (DE) 2001-10-10 EP claimed
WO-2001001963-A1 A METHOD FOR THE IMPROVEMENT OF TRANSPORT ACROSS ADAPTABLE SEMI-PERMEABLE BARRIERS IDEA AG (DE) 2001-01-11 WO claimed
WO-2001001962-A1 A METHOD FOR THE IMPROVEMENT OF TRANSPORT ACROSS ADAPTABLE SEMI-PERMEABLE BARRIERS IDEA AG. (DE) 2001-01-11 WO claimed
EP-1039880-A1 METHOD FOR DEVELOPING, TESTING AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES Idea Innovative Dermale Applikationen GmbH (DE) 2000-10-04 EP claimed
WO-2000038653-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG. (DE) 2000-07-06 WO claimed
WO-2000024377-A1 METHOD FOR DEVELOPING, TESTING AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES IDEA INNOVATIVE DERMALE APPLIKATIONEN GMBH (DE) 2000-05-04 WO claimed
US-20150313829-A1 TOPICAL FORMULATIONS FOR THE PREVENTION AND TREATMENT OF ALOPECIA AND INHIBITION OF HAIR GROWTH UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2015-11-05 US disclosed
US-20150094331-A1 QUINOLONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2015-04-02 US disclosed
WO-2000044349-A1 NON-INVASIVE VACCINATION THROUGH THE SKIN IDEA AG (DE) 2000-08-03 WO disclosed
WO-2000038653-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG. (DE) 2000-07-06 WO disclosed
WO-2000024377-A1 METHOD FOR DEVELOPING, TESTING AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES IDEA INNOVATIVE DERMALE APPLIKATIONEN GMBH (DE) 2000-05-04 WO 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 (5 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-20150094331-A1 QUINOLONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G12A, PLA2G4A, PLA2G2A GPR84 1912/4885SPHK1 1416/4885FFAR1 1020/4885
US-20020064524-A1 Formulation for topical non-invasive application in vivo CUTA, LPO, GPX4 GPR84 1587/4885SPHK1 1459/4885FFAR1 1101/4885
US-20070184114-A1 Formulation for topical non-invasive application in vivo GPX4, LPO, MMP8 GPR84 1621/4885SPHK1 1962/4885FFAR1 1511/4885
US-20030099694-A1 Method for the improvement of transport across adaptable semi-permeable barriers ABCG2, NPC1L1, KIT GPR84 1537/4885SPHK1 542/4885FFAR1 717/4885
US-20050123897-A1 Method for the improvement of transport across adaptable semi-permeable barriers NPC1L1, ABCG2, SLC7A1 GPR84 1976/4885SPHK1 836/4885FFAR1 638/4885

“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.