SCHEMBL9972287

SCHEMBL9972287

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.67
ATM Q13315 1/20 0.67
F3 P13726 3/20 0.64
GSK3B P49841 2/20 0.60
BACE1 P56817 1/20 0.59
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
BCHE P06276 1/20 0.58
CYP3A4 P08684 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
RAB9A P51151 2/20 0.56
XDH P47989 2/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54

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
SCHEMBL15298295 0.90 THRB (0.55) THRBATMF3GSK3BBACE1
SCHEMBL15298981 0.89 TNFRSF1A (0.64) THRBATMNFKB1MEN1ALDH1A1
SCHEMBL9073430 0.86 F3 (0.78) THRBATMF3GSK3BBACE1
SCHEMBL9073433 0.86 F3 (0.78) THRBATMF3GSK3BBACE1
SCHEMBL1678195 0.84 THRB (0.73) THRBATMF3GSK3BBACE1
SCHEMBL1678197 0.84 THRB (0.73) THRBATMF3GSK3BBACE1
SCHEMBL18699284 0.83 THRB (0.47) THRBATMF3GSK3BBACE1
SCHEMBL27692106 0.82 F3 (0.72) THRBATMF3GSK3BBACE1
SCHEMBL15298315 0.82 TNFRSF1A (0.55) GSK3BCYP3A4NFKB1MAPTMEN1
4-Methoxycinnamic Acid SCHEMBL12473722 0.80 THRB (1.00) THRBATMF3GSK3BBACE1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190212326-A1 Method for the Selection of Patients and Kit ALLIANZ PHARMASCIENCE LTD. (TW) 2019-07-11 US disclosed
EP-3508855-A1 METHOD FOR THE SELECTION OF PATIENTS AND KIT Allianz Pharmascience Ltd (TW) 2019-07-10 EP disclosed
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
EP-3150203-A1 COMPOUNDS WITH (1E,6E)-1,7-BIS-(3,4- DIMETHOXYPHENYL)-4,4-DISSTITUTED-HEPA-1,6-DIENE-3,5-DI-ONE STRUCTURAL SCAFFOLD,THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF Allianz Pharmascience Ltd (TW) 2017-04-05 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-20150190351-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) 2015-07-09 US 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-8236852-B2 Drugs/cosmetics having at least one (substituted phenyl)-propenal moiety; bioavailability' water solubility; antiandrogens; antiinflammatory and wound healing agents; antiarthritic agents; acne; alopecia, hirsutism; anticarcinogenic agents; cancer of the bladder, liver, breast; Kennedy's disease ANDROSCIENCE CORPORATION (US) 2012-08-07 US disclosed
US-8236852-B2 Drugs/cosmetics having at least one (substituted phenyl)-propenal moiety; bioavailability' water solubility; antiandrogens; antiinflammatory and wound healing agents; antiarthritic agents; acne; alopecia, hirsutism; anticarcinogenic agents; cancer of the bladder, liver, breast; Kennedy's disease ANDROSCIENCE CORPORATION (US) 2012-08-07 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-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-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-20090035362-A1 Compositions including androgen receptor degradation (ARD) enhancers and methods of prophylactic or therapeutic treatment of skin disorders and hair loss ANDROSCIENCE CORPORATION 2009-02-05 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
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
WO-2008085984-A1 COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USES THEREOF ANDROSCIENCE CORPORATION (US) 2008-07-17 WO 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 (5 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 THRB 2451/4885ATM 2240/4885F3 1597/4885
US-20190212326-A1 Method for the Selection of Patients and Kit MYC, AURKC, AR THRB 970/4885ATM 131/4885F3 1993/4885
US-20080188557-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof AR, CYP17A1, CYP19A1 THRB 2451/4885ATM 2240/4885F3 1597/4885
US-20150190351-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, BRCA1, CYP17A1 THRB 844/4885ATM 2011/4885F3 4432/4885
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 THRB 1093/4885ATM 788/4885F3 4602/4885

“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.