SCHEMBL6017577

SCHEMBL6017577

CCOC(=O)Cn1ccc2ccc(OCc3c(C(F)(F)F)cc(-c4ccc(OC(F)(F)F)cc4)nc3C)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARD Q03181 6/20 0.41
PPARA Q07869 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
PPARG P37231 1/20 0.39
MCL1 Q07820 2/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
POLB P06746 2/20 0.36
TRPA1 O75762 1/20 0.36
GRIN2B Q13224 1/20 0.35
PFKFB3 Q16875 1/20 0.35

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
SCHEMBL6029066 0.93 PPARD (0.43) ALDH1A1L3MBTL1PPARDPPARAMAPT
SCHEMBL5617211 0.91 PPARD (0.49) ALDH1A1L3MBTL1PPARDPPARATRPV1
SCHEMBL6028662 0.89 PPARD (0.39) ALDH1A1L3MBTL1PPARDPPARATRPV1
SCHEMBL6017238 0.88 PPARD (0.37) ALDH1A1L3MBTL1PPARDPPARATRPV1
SCHEMBL6029437 0.88 TRPV1 (0.40) ALDH1A1L3MBTL1PPARDPPARATRPV1
SCHEMBL5617157 0.83 PPARD (0.53) PPARDPPARAPPARGMCL1GRIN2B
SCHEMBL6030670 0.83 PPARD (0.40) PPARDPPARATRPV1PPARGMCL1
SCHEMBL5027024 0.83 TRPV1 (0.43) PPARDPPARATRPV1MAPTPPARG
SCHEMBL6029063 0.80 PPARD (0.47) PPARDPPARAMAPTTHRBPPARG
SCHEMBL5016803 0.80 PPARD (0.40) ALDH1A1PPARDPPARATRPV1PPARG

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 ALDH1A1 788/4885L3MBTL1 2267/4885PPARD 1/4885

“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.