SCHEMBL3940784

SCHEMBL3940784

COc1ccc(C(=C/C=C/C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
PARP10 Q53GL7 2/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PTAFR P25105 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
HSPD1 P10809 1/20 0.47
TNFRSF1A P19438 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL3940795 1.00 THRB (0.54) THRBATMCA1CA2PARP10
SCHEMBL10398297 0.95 CES2 (0.57) THRBATMCA1CA2PARP10
SCHEMBL10398296 0.95 CES2 (0.57) THRBATMCA1CA2PARP10
SCHEMBL10399404 0.95 CES2 (0.57) THRBATMCA1CA2PARP10
SCHEMBL4097916 0.89 CYP1A1 (0.56) THRBATMCA1CA2MAPT
SCHEMBL4097921 0.89 CYP1A1 (0.56) THRBATMCA1CA2MAPT
SCHEMBL4097918 0.89 CYP1A1 (0.56) THRBATMCA1CA2MAPT
SCHEMBL10398993 0.85 PTAFR (0.60) PTAFRKMT2ACYP1B1
SCHEMBL10398977 0.85 PTAFR (0.60) PTAFRKMT2ACYP1B1
SCHEMBL10398976 0.85 PTAFR (0.60) PTAFRKMT2ACYP1B1

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 THRB 1784/4885ATM 4748/4885CA1 3125/4885

“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.