SCHEMBL5016803

SCHEMBL5016803

CCOC(=O)Cn1ccc2ccc(OCc3cc(-c4ccc(OC(F)(F)F)cc4)nn3CC(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.40
TRPV1 Q8NER1 1/20 0.39
MCL1 Q07820 2/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRIN2B Q13224 1/20 0.37
PPARA Q07869 2/20 0.36
TRPA1 O75762 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 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
SCHEMBL5022715 0.92 MCL1 (0.40) PPARDTRPV1MCL1TSHRALDH1A1
SCHEMBL5023384 0.92 PPARD (0.42) PPARDMCL1TSHRALDH1A1MAPK1
SCHEMBL5027024 0.90 TRPV1 (0.43) PPARDTRPV1MCL1GRIN2BPPARA
SCHEMBL5023318 0.89 PPARD (0.43) PPARDTRPV1MCL1PPARAPPARG
SCHEMBL5022631 0.87 TRPV1 (0.39) PPARDTRPV1MCL1TSHRALDH1A1
SCHEMBL5025640 0.85 PPARD (0.40) PPARDTRPV1GRIN2BPPARAPPARG
SCHEMBL5016855 0.84 PPARD (0.45) PPARDTRPV1GRIN2BPPARATRPA1
SCHEMBL5022805 0.83 MCL1 (0.44) PPARDTRPV1MCL1PPARATRPA1
SCHEMBL5016774 0.82 MCL1 (0.45) PPARDTRPV1MCL1PPARATRPA1
SCHEMBL5016769 0.82 PPARD (0.44) PPARDMCL1GRIN2BPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG PPARD 1/4885TRPV1 845/4885MCL1 2737/4885

“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.