SCHEMBL4420617

SCHEMBL4420617

CCOC(=O)CCc1ccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
FFAR4 Q5NUL3 4/20 0.45
PPARD Q03181 4/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR4 O95977 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4432117 0.92 PPARG (0.50) PPARGPPARAFFAR4PPARDCYP4F2
SCHEMBL4420148 0.90 FFAR4 (0.56) PPARGPPARAFFAR4PPARD
SCHEMBL4417761 0.84 TRPM2 (0.43) PPARGPPARAFFAR4PPARDALDH1A1
SCHEMBL1549526 0.84 FFAR4 (0.52) PPARGPPARAFFAR4PPARD
SCHEMBL4421579 0.84 PPARG (0.44) PPARGPPARAFFAR4PPARDCYP4F2
SCHEMBL1549449 0.83 TP53 (0.45) PPARGPPARAFFAR4PPARDTP53
SCHEMBL4424891 0.82 PPARG (0.50) PPARGPPARAFFAR4PPARD
SCHEMBL1550085 0.81 PPARD (0.47) PPARGPPARAPPARD
SCHEMBL4430360 0.80 PPARG (0.41) PPARGPPARAFFAR4PPARDCYP4F2
SCHEMBL4421601 0.77 TRPM2 (0.43) PPARGPPARAPPARDALDH1A1L3MBTL1

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.