SCHEMBL13329972

SCHEMBL13329972

COc1cc(CNC(=O)c2ccc(C)cc2)c(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HDAC1 Q13547 1/20 0.40
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
HTT P42858 1/20 0.40
MMP13 P45452 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 1/20 0.38
BACE1 P56817 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL2354239 0.93 EPHX2 (0.43) EPHX2NR1H4PPARGPPARDPPARA
SCHEMBL2354460 0.92 EPHX2 (0.44) EPHX2NR1H4PPARGPPARDPPARA
SCHEMBL2354414 0.92 EPHX2 (0.42) EPHX2NR1H4PPARGPPARDPPARA
SCHEMBL2363248 0.88 CYP3A4 (0.54) EPHX2NR1H4PPARGROCK2ROCK1
SCHEMBL3311096 0.87 CYP3A4 (0.42) EPHX2NR1H4PPARGPPARDPPARA
SCHEMBL3308176 0.86 CYP3A4 (0.42) EPHX2NR1H4MAPTCYP3A4TP53
SCHEMBL3311934 0.85 MAPK1 (0.43) ROCK2ROCK1MAPTCYP3A4
SCHEMBL2364053 0.83 CYP3A4 (0.49) EPHX2NR1H4PPARGROCK2ROCK1
SCHEMBL3308708 0.80 HPGD (0.51) EPHX2MAPTCYP3A4HPGD
SCHEMBL2364475 0.80 CYP3A4 (0.42) EPHX2NR1H4MAPTCYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B EPHX2 3590/4885NR1H4 928/4885PPARG 2681/4885

“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.