SCHEMBL3943404

SCHEMBL3943404

O=C(O)C=CC=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
TNFRSF1A P19438 1/20 0.43
PTAFR P25105 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3943400 1.00 CES2 (0.45) CES2CES1BCL2L1BADTNFRSF1A
SCHEMBL4033015 0.89 CYP1A1 (0.52) CES2CES1CYP1A2
SCHEMBL4033011 0.89 CYP1A1 (0.52) CES2CES1CYP1A2
SCHEMBL4033014 0.89 CYP1A1 (0.52) CES2CES1CYP1A2
SCHEMBL3940765 0.86 PTGS2 (0.58)
SCHEMBL3940758 0.86 PTGS2 (0.58)
SCHEMBL3943435 0.82 HDAC3 (0.45) CES2CES1TNFRSF1APTAFRCA1
SCHEMBL10399188 0.82 HDAC3 (0.45) CES2CES1TNFRSF1APTAFRCA1
SCHEMBL1232561 0.82 HDAC3 (0.45) CES2CES1TNFRSF1APTAFRCA1
SCHEMBL3945845 0.81 ALOX15 (0.48) CES2CES1PTAFRCA1CA2

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 7 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-5332857-A 3,5-dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1994-07-26 US disclosed
US-5151545-A 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1992-09-29 US disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
EP-0312269-A2 3,5-Dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-04-19 EP 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 CES2 3693/4885CES1 2445/4885BCL2L1 3700/4885

“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.