SCHEMBL4422758

SCHEMBL4422758

Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1COc1cc(OC(C)(C)C(=O)O)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.45
PPARD Q03181 14/20 0.45
PPARG P37231 7/20 0.45
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LTB4R Q15722 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4424222 0.93 PPARD (0.47) PPARAPPARDPPARGLTB4RKDM4E
SCHEMBL4419575 0.92 PPARA (0.43) PPARAPPARDPPARGLTB4R
SCHEMBL4429318 0.91 TDP1 (0.36) PPARAPPARDPPARGALDH1A1
SCHEMBL4425021 0.86 PPARA (0.42) PPARAPPARDPPARGLTB4RKDM4E
SCHEMBL4427331 0.84 PPARD (0.38) PPARAPPARDPPARGALDH1A1
SCHEMBL4428841 0.83 PPARG (0.42) PPARAPPARDPPARGLTB4RALDH1A1
SCHEMBL1549771 0.82 PPARD (0.56) PPARAPPARDPPARG
SCHEMBL6029383 0.82 PPARA (0.40) PPARAPPARDPPARGCYP2C9CYP2C19
SCHEMBL6029235 0.81 PPARG (0.39) PPARAPPARDPPARGLTB4R
SCHEMBL1548841 0.81 PPARD (0.54) PPARAPPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US claimed
JP-2007509998-A 2007-04-19 JP claimed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP claimed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO claimed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US claimed
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885PPARG 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.