SCHEMBL6017213

SCHEMBL6017213

CCOC(=O)Cn1ccc2ccc(OCc3ccc(-c4ccc(C(F)(F)F)cc4)nc3C)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.47
PPARA Q07869 8/20 0.44
PPARG P37231 3/20 0.41
MAOB P27338 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
MCL1 Q07820 1/20 0.40
FPR2 P25090 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
SCHEMBL6028284 0.92 GRIN2B (0.47) PPARDPPARAMAOBGRIN1GRIN2B
SCHEMBL6030017 0.92 PPARD (0.47) PPARDPPARAPPARGGRIN1GRIN2B
SCHEMBL6017210 0.91 PPARD (0.58) PPARDPPARAPPARGMCL1
SCHEMBL6029063 0.87 PPARD (0.47) PPARDPPARAPPARGMAOBGRIN1
SCHEMBL6029066 0.87 PPARD (0.43) PPARDPPARAPPARGMAOBGRIN1
SCHEMBL6030670 0.85 PPARD (0.40) PPARDPPARAPPARGGRIN2BMCL1
SCHEMBL5016769 0.85 PPARD (0.44) PPARDPPARAPPARGMAOBGRIN1
SCHEMBL6029170 0.83 MCL1 (0.41) PPARDPPARAPPARGGRIN1GRIN2B
SCHEMBL6029270 0.82 PPARD (0.55) PPARDPPARAPPARGMAOBGRIN1
SCHEMBL5617207 0.82 PPARD (0.54) PPARDPPARAPPARGGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO 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 PPARD 1/4885PPARA 2/4885PPARG 3/4885

“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.