SCHEMBL4421579

SCHEMBL4421579

CCOC(=O)CCc1ccc(OCc2ncc(-c3ccc(C(F)(F)F)cc3)cn2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
FFAR4 Q5NUL3 3/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PPARD Q03181 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP4 P27487 1/20 0.37
PSEN1 P49768 2/20 0.37
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
SYK P43405 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL4424882 0.88 FFAR4 (0.55) PPARGPPARAFFAR4PPARD
SCHEMBL4420617 0.84 PPARG (0.45) PPARGPPARAFFAR4CYP4F2CYP4A11
SCHEMBL1549560 0.81 PPARD (0.54) PPARGPPARAFFAR4PPARD
SCHEMBL4430360 0.80 PPARG (0.41) PPARGPPARAFFAR4CYP4F2CYP4A11
SCHEMBL4432117 0.79 PPARG (0.50) PPARGPPARAFFAR4CYP4F2CYP4A11
SCHEMBL4420148 0.73 FFAR4 (0.56) PPARGPPARAFFAR4PPARD
SCHEMBL12035852 0.71 CYP4F2 (0.60) CYP4F2CYP4A11KDM4EALDH1A1HSD17B10
SCHEMBL2537564 0.71 PSEN1 (0.47) PPARAFFAR4PPARDPSEN1ALOX5
SCHEMBL1549699 0.70 PPARD (0.66) PPARGPPARAFFAR4PPARD
SCHEMBL4424891 0.69 PPARG (0.50) PPARGPPARAFFAR4PPARD

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
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 PPARG 3/4885PPARA 2/4885FFAR4 5/4885

“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.