SCHEMBL9613258

SCHEMBL9613258

CCc1ccc2c(c1)cc(C(=O)O)n2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MCL1 Q07820 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
SRD5A2 P31213 2/20 0.57
GPR35 Q9HC97 1/20 0.54
PLA2G4A P47712 1/20 0.52
GFER P55789 1/20 0.50
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
SRD5A1 P18405 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL30547830 0.87 KDM4E (0.62) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL16421194 0.87 MCL1 (0.58) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL9613272 0.86 TP53 (0.47) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL30622600 0.80 KDM4E (0.54) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL30547940 0.80 HPGD (0.58) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL12042736 0.80 KDM4E (0.51) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL30547807 0.79 KDM4E (0.52) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL30547707 0.78 KDM4E (0.68) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL5599830 0.78 KDM4E (0.68) HSD17B10KDM4EHPGDALDH1A1MCL1
SCHEMBL2001537 0.78 HSD17B10 (0.68) HSD17B10KDM4EHPGDALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727797-B1 PROCESS FOR CROSS COUPLING INDOLES BOEHRINGER INGELHEIM PHARMA (US) 2012-05-30 EP disclosed
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
US-8048901-B2 5-{3-[3-(5-Methyl-2-m-tolyloxazol-4-ylmethoxy)cyclohexyloxy]-propyl}-2H-tetrazole; metabolic disorders, insulin resistance, dyslipidemia, Syndrome X AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 US disclosed
US-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-09 US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP 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-20080249126-A1 1,3-SUBSTITUTED CYCLOALKYL DERIVATIVES HAVING ACIDIC, MOSTLY HETEROCYCLIC GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, FFAR1 HSD17B10 97/4885KDM4E 4119/4885HPGD 569/4885

“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.