SCHEMBL9974131

SCHEMBL9974131

O=C(/C=C/c1ccc(O)cc1)C(C(=O)/C=C/c1ccc(O)cc1)=C(O)/C=C/c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.62
AKR1B10 O60218 3/20 0.62
AKR1B1 P15121 3/20 0.62
CA12 O43570 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
PKM P14618 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA5A P35218 2/20 0.62
CA5B Q9Y2D0 2/20 0.62
ESR1 P03372 2/20 0.62
ESR2 Q92731 2/20 0.62
CA3 P07451 1/20 0.62
DPP4 P27487 1/20 0.62
HCAR2 Q8TDS4 1/20 0.62
F3 P13726 3/20 0.59

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
SCHEMBL18699342 0.89 TYR (0.50) TYRAKR1B10AKR1B1CA12CA7
SCHEMBL15298982 0.87 CA12 (0.49) TYRAKR1B10AKR1B1CA12CA7
SCHEMBL16088502 0.82 MMP1 (0.62) TYRAKR1B10AKR1B1CA12CA7
SCHEMBL9972287 0.79 THRB (0.67) F3MAOBGSK3BBACE1CYP3A4
SCHEMBL610552 0.78 ESR1 (0.53) TYRAKR1B10AKR1B1CA12CA7
SCHEMBL610551 0.78 ESR1 (0.53) TYRAKR1B10AKR1B1CA12CA7
Coumaric Acid SCHEMBL6333102 0.77 ESR1 (1.00) TYRAKR1B10AKR1B1CA12CA7
Coumaric Acid SCHEMBL6333097 0.77 ESR1 (1.00) TYRAKR1B10AKR1B1CA12CA7
Coumaric Acid SCHEMBL20702657 0.77 ESR1 (1.00) TYRAKR1B10AKR1B1CA12CA7
Coumaric Acid SCHEMBL39106 0.77 ESR1 (1.00) TYRAKR1B10AKR1B1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2993165-B1 COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USE THEREOF ALLIANZ PHARMASCIENCE LTD (TW) 2018-06-27 EP disclosed
US-9562025-B2 Compounds with (1E, 6E)-1,7-Bis-(3,4-dimethoxyphenyl)-4-4-distributed-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof ALLIANZ PHARMASCIENCE LTD. (TW) 2017-02-07 US disclosed
US-20160264539-A1 COMPOUNDS WITH (1E, 6E)-1,7-BIS-(3,4-DIMETHOXYPHENYL)-4-4-DISUBSTITUTED-HEPTA-1,6-DIENE-3,5-DIONE STRUCTURAL SCAFFOLD, THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF Annji Pharmaceutical Co., Ltd. (TW) 2016-09-15 US disclosed
EP-2993165-A2 COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USE THEREOF Allianz Pharmascience Ltd (TW) 2016-03-09 EP disclosed
EP-2104659-B1 COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USES THEREOF ANDROSCIENCE CORP (US) 2015-07-29 EP disclosed
US-9000222-B2 Compounds with (1E, 6E)-1,7-bis-(3,4-dimethoxyphenyl)-4,4-disubstituted-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof ANDROSCIENCE CORPORATION (US) 2015-04-07 US disclosed
US-8202905-B2 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof ANDROSCIENCE CORPORATION (US) 2012-06-19 US disclosed
US-20100292342-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof Annji Pharmaceutical Co., Ltd. (TW) 2010-11-18 US disclosed
US-20080188557-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof Annji Pharmaceutical Co., Ltd. (TW) 2008-08-07 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 (3 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-20100292342-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof AR, CYP17A1, CYP19A1 TYR 181/4885AKR1B10 94/4885AKR1B1 60/4885
US-20080188557-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof AR, CYP17A1, CYP19A1 TYR 181/4885AKR1B10 94/4885AKR1B1 60/4885
US-20160264539-A1 COMPOUNDS WITH (1E, 6E)-1,7-BIS-(3,4-DIMETHOXYPHENYL)-4-4-DISUBSTITUTED-HEPTA-1,6-DIENE-3,5-DIONE STRUCTURAL SCAFFOLD, THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF AR, CYP17A1, SRD5A1 TYR 2119/4885AKR1B10 112/4885AKR1B1 80/4885

“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.