SCHEMBL4430360

SCHEMBL4430360

CCOC(=O)CCc1ccc(OCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
FFAR4 Q5NUL3 4/20 0.39
PPARD Q03181 1/20 0.36
DPP4 P27487 1/20 0.36
GSTP1 P09211 1/20 0.36
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MCHR1 Q99705 3/20 0.34
EPHX2 P34913 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL4427558 0.90 FFAR4 (0.49) PPARGPPARAFFAR4PPARDMRGPRX4
SCHEMBL4424009 0.87 TRPM2 (0.40) PPARGPPARAFFAR4PPARDDPP4
SCHEMBL1550193 0.84 TP53 (0.45) PPARAFFAR4PPARDGSTP1EPHX2
SCHEMBL1550166 0.84 PPARD (0.49) PPARGPPARAFFAR4PPARDGSTP1
SCHEMBL4420617 0.80 PPARG (0.45) PPARGPPARAFFAR4PPARDGSTP1
SCHEMBL4421579 0.80 PPARG (0.44) PPARGPPARAFFAR4PPARDDPP4
SCHEMBL1550099 0.79 GSTP1 (0.41) PPARGPPARAPPARDGSTP1FOS
SCHEMBL4431066 0.77 TDP1 (0.37) PPARGPPARAPPARDFOSJUN
SCHEMBL1549554 0.76 FFAR4 (0.46) PPARGPPARAFFAR4PPARDMRGPRX4
SCHEMBL1549973 0.76 PPARD (0.47) PPARGPPARAPPARDGSTP1MRGPRX4

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.