SCHEMBL1238097

SCHEMBL1238097

CCCC(O)/C=C(\C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GPR84 Q9NQS5 6/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33

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
SCHEMBL152165 1.00 HDAC1 (0.39) HDAC1HDAC2CHRM1AKR1A1CHRM3
Methyl Alcohol SCHEMBL4653233 0.98 HDAC1 (0.38) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL7713662 0.94 HDAC1 (0.35) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL8060421 0.88 ACHE (0.49) ACHEBACE1FFAR1FFAR4GPR84
SCHEMBL943388 0.86 FFAR1 (0.47) ACHEBACE1FFAR1FFAR4GPR84
SCHEMBL1784404 0.84 ACHE (0.36) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL1784402 0.84 ACHE (0.36) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL7636971 0.84 GPR84 (0.50) FFAR1FFAR4GPR84LCKPPARD
SCHEMBL7747945 0.84 GPR84 (0.50) FFAR1FFAR4GPR84LCKPPARD
SCHEMBL3729898 0.84 GPR84 (0.50) FFAR1FFAR4GPR84LCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7175850-B2 Formulation for topical non-invasive application in vivo IDEA AG (DE) 2007-02-13 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
WO-2000038653-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG. (DE) 2000-07-06 WO claimed
US-20240099976-A1 BLENDED FORMULATIONS SEQUESSOME TECHNOLOGY HOLDINGS LIMITED (MT) 2024-03-28 US disclosed
US-20230390216-A1 BROMHEXINE FOR THE TREATMENT OF PAIN KERN KAI UWE (DE) 2023-12-07 US disclosed
EP-3638223-B1 BROMHEXINE FOR THE TREATMENT OF PAIN KERN KAI UWE (DE) 2023-10-25 EP disclosed
EP-1140021-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG (DE) 2001-10-10 EP disclosed
WO-2001001963-A1 A METHOD FOR THE IMPROVEMENT OF TRANSPORT ACROSS ADAPTABLE SEMI-PERMEABLE BARRIERS IDEA AG (DE) 2001-01-11 WO disclosed
WO-2001001962-A1 A METHOD FOR THE IMPROVEMENT OF TRANSPORT ACROSS ADAPTABLE SEMI-PERMEABLE BARRIERS IDEA AG. (DE) 2001-01-11 WO disclosed
WO-2000038653-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG. (DE) 2000-07-06 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 (4 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-20020064524-A1 Formulation for topical non-invasive application in vivo CUTA, LPO, GPX4 HDAC1 3833/4885HDAC2 4691/4885CHRM1 3222/4885
US-20070184114-A1 Formulation for topical non-invasive application in vivo GPX4, LPO, MMP8 HDAC1 3918/4885HDAC2 4744/4885CHRM1 3005/4885
US-20030099694-A1 Method for the improvement of transport across adaptable semi-permeable barriers ABCG2, NPC1L1, KIT HDAC1 4123/4885HDAC2 3632/4885CHRM1 1705/4885
US-20050123897-A1 Method for the improvement of transport across adaptable semi-permeable barriers NPC1L1, ABCG2, SLC7A1 HDAC1 4483/4885HDAC2 4075/4885CHRM1 2166/4885

“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.