SCHEMBL831391

SCHEMBL831391

CCc1nc(-c2ccc(C(F)(F)F)cc2)cc(OCCC(C)C)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
TRPV3 Q8NET8 7/20 0.39
ADORA3 P0DMS8 1/20 0.38
MCHR1 Q99705 1/20 0.37
XDH P47989 2/20 0.37
PPARD Q03181 2/20 0.37
LTB4R Q15722 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL832657 0.90 XDH (0.42) SCN8ASCN10ATRPV3ADORA3XDH
SCHEMBL832414 0.86 ADORA3 (0.41) TRPV3ADORA3PPARD
SCHEMBL831714 0.75 MCL1 (0.40) TRPV3ADORA3PPARDLTB4R
SCHEMBL830689 0.73 MAPT (0.44) ADORA3KDM4E
SCHEMBL831311 0.72 MAPT (0.43) ADORA3KDM4E
SCHEMBL831844 0.71 ALDH1A1 (0.42) ADORA3XDHPPARDLTB4RKDM4E
SCHEMBL26074168 0.70 PLA2G2A (0.60) KDM4EKMT2A
SCHEMBL830293 0.68 ADORA3 (0.41) ADORA3KMT2A
SCHEMBL831416 0.68 MAPT (0.43) ADORA3KDM4E
SCHEMBL829500 0.67 ALDH1A1 (0.48) ADORA3KDM4EKMT2A

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 SCN8A 2574/4885SCN10A 2241/4885TRPV3 4035/4885

“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.