SCHEMBL4450227

SCHEMBL4450227

CCCCCCc1cc2c(cc1OC)C(=O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.50
HTR2A P28223 1/20 0.46
ALOX5 P09917 5/20 0.42
PTGS2 P35354 3/20 0.42
SLC2A1 P11166 1/20 0.41
GPR84 Q9NQS5 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4458486 0.92 HTR2A (0.48) HSD17B1HTR2AALOX5PTGS2GPR84
SCHEMBL4450879 0.81 LTB4R (0.52) TSHR
SCHEMBL4452252 0.81 MEN1 (0.44) HSD17B1ALOX5GPR84KDM4ETSHR
SCHEMBL424613 0.76 HSD17B1 (0.54) HSD17B1KDM4EALDH1A1HPGDTSHR
SCHEMBL2303286 0.75 HTR2A (0.45) HTR2AALOX5PTGS2PPARA
SCHEMBL13956465 0.75 TSHR (0.56) HSD17B1PPARAKDM4EALDH1A1HPGD
SCHEMBL18830548 0.74 MEN1 (0.34) ALOX5PTGS2PPARAKDM4EALDH1A1
SCHEMBL18830572 0.74 TSHR (0.34) HSD17B1ALOX5PPARATSHR
SCHEMBL5108634 0.73 HSD17B1 (0.52) HSD17B1SLC2A1KDM4EALDH1A1MAPK1
SCHEMBL13956434 0.73 LTB4R (0.47) TSHR

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 6 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-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 HSD17B1 331/4885HTR2A 3763/4885ALOX5 594/4885

“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.