SCHEMBL6030172

SCHEMBL6030172

CCOC(=O)Cn1ccc2ccc(OCc3cnc(-c4ccc(C(F)(F)F)cc4)nc3C3CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.44
MAOB P27338 1/20 0.43
PPARA Q07869 4/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALOX5AP P20292 6/20 0.37
MCL1 Q07820 1/20 0.37
GSTP1 P09211 1/20 0.37
MCHR1 Q99705 1/20 0.37
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TRPM2 O94759 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
SCHEMBL6029336 0.95 PPARD (0.51) PPARDMAOBPPARAGRIN1GRIN2B
SCHEMBL6028937 0.93 GRIN2B (0.41) PPARDMAOBPPARAGRIN1GRIN2B
SCHEMBL6017772 0.90 PPARD (0.55) PPARDPPARAGRIN1GRIN2BALOX5AP
SCHEMBL5617386 0.84 PPARD (0.64) PPARDPPARAGRIN1GRIN2BMCL1
SCHEMBL6029270 0.83 PPARD (0.55) PPARDMAOBPPARAGRIN1GRIN2B
SCHEMBL5628880 0.83 PPARD (0.49) PPARDPPARAGRIN1GRIN2BMCL1
SCHEMBL1550166 0.82 PPARD (0.49) PPARDMAOBPPARAGSTP1
SCHEMBL6029063 0.82 PPARD (0.47) PPARDMAOBPPARAGRIN1GRIN2B
SCHEMBL6017213 0.81 PPARD (0.47) PPARDMAOBPPARAGRIN1GRIN2B
SCHEMBL6029277 0.79 PPARD (0.51) PPARDMAOBPPARAGRIN1GRIN2B

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 PPARD 1/4885MAOB 1624/4885PPARA 2/4885

“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.