SCHEMBL830423

SCHEMBL830423

CC(C)Oc1cc(-c2ccc(Cl)cc2)nc(C(C)C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
KMO O15229 2/20 0.45
MCL1 Q07820 4/20 0.44
CTRC Q99895 4/20 0.43
PPARA Q07869 1/20 0.43
KDM4E B2RXH2 1/20 0.41
XDH P47989 3/20 0.40
PTGES O14684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 2/20 0.38
LTB4R Q15722 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
SCHEMBL832002 0.85 FABP3 (0.45) FABP3FABP4FABP5KMOMCL1
SCHEMBL831704 0.84 FABP3 (0.44) FABP3FABP4FABP5KMOMCL1
SCHEMBL831049 0.83 FABP3 (0.47) FABP3FABP4FABP5KMOMCL1
SCHEMBL830599 0.83 DHODH (0.52) FABP3FABP4FABP5MCL1PPARA
SCHEMBL832659 0.78 FABP3 (0.46) FABP3FABP4FABP5KMOMCL1
SCHEMBL4015161 0.76 ATM (0.54) FABP3FABP4FABP5KMOCTRC
SCHEMBL831311 0.74 MAPT (0.43) KMOCTRCKDM4EALDH1A1HPGD
SCHEMBL831705 0.74 ALDH1A1 (0.39) FABP3FABP4FABP5CTRCPPARA
SCHEMBL829901 0.74 MAPT (0.43) CTRCKDM4EALDH1A1HPGDLTB4R
SCHEMBL831291 0.72 POLB (0.43) MCL1CTRCKDM4EALDH1A1HPGD

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
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT FABP3 2/4885FABP4 183/4885FABP5 117/4885

“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.