SCHEMBL6029437

SCHEMBL6029437

CCOC(=O)Cn1ccc2ccc(OCc3cnc(-c4ccc(OC(F)(F)F)cc4)cc3C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
PPARD Q03181 7/20 0.39
MCL1 Q07820 1/20 0.39
PPARA Q07869 3/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 2/20 0.38
PPARG P37231 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PTGER4 P35408 1/20 0.37
MAOB P27338 1/20 0.36
SCN5A Q14524 2/20 0.36
TRPA1 O75762 1/20 0.36
POLB P06746 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
SCHEMBL6029063 0.93 PPARD (0.47) PPARDMCL1PPARAGRIN2BPPARG
SCHEMBL6029767 0.89 PPARD (0.49) TRPV1PPARDMCL1PPARAPPARG
SCHEMBL6017577 0.88 ALDH1A1 (0.43) TRPV1PPARDMCL1PPARAALDH1A1
SCHEMBL6030670 0.87 PPARD (0.40) TRPV1PPARDMCL1PPARAGRIN2B
SCHEMBL6028662 0.84 PPARD (0.39) TRPV1PPARDMCL1PPARAALDH1A1
SCHEMBL5027024 0.83 TRPV1 (0.43) TRPV1PPARDMCL1PPARAGRIN2B
SCHEMBL6017238 0.83 PPARD (0.37) TRPV1PPARDMCL1PPARAALDH1A1
SCHEMBL5617221 0.81 PPARD (0.59) PPARDMCL1PPARAGRIN2BPPARG
SCHEMBL5016803 0.81 PPARD (0.40) TRPV1PPARDMCL1PPARAALDH1A1
SCHEMBL5022631 0.81 TRPV1 (0.39) TRPV1PPARDMCL1PPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US 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-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG TRPV1 651/4885PPARD 1/4885MCL1 2700/4885

“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.