SCHEMBL830599

SCHEMBL830599

CC(C)Oc1cc(-c2ccc(Cl)cc2)nc(C(C)C)c1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.52
MCL1 Q07820 1/20 0.43
GCGR P47871 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX3 P56373 2/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
LTB4R Q15722 1/20 0.39
PPARA Q07869 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
SCHEMBL830423 0.83 FABP3 (0.46) DHODHMCL1FABP3FABP4FABP5
SCHEMBL829901 0.72 MAPT (0.43) GCGRTP53LTB4R
SCHEMBL831049 0.72 FABP3 (0.47) DHODHMCL1FABP3FABP4FABP5
SCHEMBL832002 0.72 FABP3 (0.45) DHODHMCL1TP53FABP3FABP4
SCHEMBL831704 0.71 FABP3 (0.44) DHODHMCL1TP53FABP3FABP4
SCHEMBL831311 0.70 MAPT (0.43) P2RX3
SCHEMBL831705 0.68 ALDH1A1 (0.39) DHODHTP53MEN1KMT2AFABP3
SCHEMBL831461 0.68 GCGR (0.53) DHODHGCGRMEN1KMT2A
SCHEMBL29179230 0.68 ALDH1A1 (0.44) KMT2APPARA
SCHEMBL2135648 0.67 ALDH1A1 (0.59) MEN1KMT2A

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 DHODH 1183/4885MCL1 2282/4885GCGR 3478/4885

“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.