SCHEMBL2127017

SCHEMBL2127017

C=C(C=O)c1ccc(O)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ SLC22A6 Q4U2R8 1/20 0.61
▸ SLC22A8 Q8TCC7 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ HTT P42858 1/20 0.59
▸ HSD17B2 P37059 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ TRIM24 O15164 1/20 0.54
▸ ALDH5A1 P51649 1/20 0.54
▸ ABAT P80404 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ TRIM33 Q9UPN9 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ GAA P10253 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL31318322 0.86 TUBB1 (0.55) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL10674510 0.86 TSHR (0.58) KMT2AALDH1A1HPGDPOLBGAA
SCHEMBL2937667 0.84 MEN1 (0.58) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL19655666 0.81 SLC22A6 (0.68) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL4649592 0.78 MEN1 (0.63) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL18776640 0.78 HTT (0.67) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL2221669 0.77 CA12 (0.50) RAB9AKDM4EPOLBHDAC6GAA
SCHEMBL25362422 0.77 KMT2A (0.62) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL7122113 0.77 TUBB1 (0.54) MEN1KMT2AHTTGAAMAPT
Methyl Vanillate SCHEMBL275939 0.77 KMT2A (0.72) MEN1KMT2ASLC22A6SLC22A8RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135456-A1 METHOD AND KIT FOR DETECTION OF GUAIACOL-PRODUCING BACTERIUM CALPIS CO., LTD. (JP) 2012-05-31 — — US claimed
EP-2444502-A1 METHOD AND KIT FOR DETECTION OF GUAIACOL-PRODUCING BACTERIUM Calpis Co., Ltd. (JP) 2012-04-25 — — EP claimed
EP-3150203-B1 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) 2020-02-19 — — EP disclosed
EP-3549581-A2 COMPOUNDS WITH (1E, 6E)-1,7-BIS-(3,4-DIMETHOXYPHENYL)-4,4-DISSTITUTED-HEPA-1,6-DIENE-3,5-DIONE STRUCTURAL SCAFFOLD, THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF Allianz Pharmascience Ltd (TW) 2019-10-09 — — EP disclosed
CN-110279680-A A kind of medical composition and its use 有联生技股份有限公司 2019-09-27 — — CN 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
CN-106220507-A Compound with (1E,6E) -1, 7-bis- (3, 4-dimethoxyphenyl) -4, 4-disubstituted hepta-1, 6-diene-3, 5-dione structural framework and application thereof 有联生技股份有限公司 2016-12-14 — — CN 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
US-20130261121-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) 2013-10-03 — — 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-20120135456-A1 METHOD AND KIT FOR DETECTION OF GUAIACOL-PRODUCING BACTERIUM CALPIS CO., LTD. (JP) 2012-05-31 — — US disclosed
EP-2444502-A1 METHOD AND KIT FOR DETECTION OF GUAIACOL-PRODUCING BACTERIUM Calpis Co., Ltd. (JP) 2012-04-25 — — EP 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
EP-2104659-A1 COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USES THEREOF AndroScience Corporation (US) 2009-09-30 — — EP 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 MEN1 2395/4885KMT2A 1924/4885SLC22A6 4282/4885
US-20080188557-A1 Compounds with (substituted phenyl)-propenal moiety, their derivatives, biological activity, and use thereof AR, CYP17A1, CYP19A1 MEN1 2395/4885KMT2A 1924/4885SLC22A6 4282/4885
US-20120135456-A1 METHOD AND KIT FOR DETECTION OF GUAIACOL-PRODUCING BACTERIUM APEH, GANC, AOC1 MEN1 4172/4885KMT2A 1120/4885SLC22A6 3368/4885
US-20130261121-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 MEN1 2785/4885KMT2A 2312/4885SLC22A6 4512/4885
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 MEN1 3405/4885KMT2A 2381/4885SLC22A6 4599/4885

“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.

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