SCHEMBL4458486

SCHEMBL4458486

CCCCCCc1cc2c(cc1OC)C(=O)CC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
ALOX5 P09917 5/20 0.43
PTGS2 P35354 3/20 0.43
GPR84 Q9NQS5 1/20 0.41
HSD17B1 P14061 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL4450227 0.92 HSD17B1 (0.50) HTR2AALOX5PTGS2GPR84HSD17B1
SCHEMBL13956465 0.82 TSHR (0.56) HSD17B1PPARAKDM4EALDH1A1HPGD
SCHEMBL4453277 0.80 LTB4R (0.47) TSHR
SCHEMBL13956427 0.80 PPARA (0.45) ALOX5HSD17B1PPARAALDH1A1TSHR
SCHEMBL13956434 0.80 LTB4R (0.47) TSHR
SCHEMBL13956652 0.80 PPARA (0.45) ALOX5HSD17B1PPARAALDH1A1TSHR
SCHEMBL4456861 0.80 MAOB (0.36) PTGS2
SCHEMBL2305004 0.80 TYR (0.46) ALOX5HSD17B1PPARAKDM4EALDH1A1
SCHEMBL2301656 0.80 HSD17B1 (0.37) ALOX5GPR84HSD17B1TSHRHSD17B10
SCHEMBL13956435 0.79 BRD4 (0.43)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 US disclosed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 EP disclosed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 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 (1 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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 HTR2A 3763/4885ALOX5 594/4885PTGS2 3327/4885

“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.