SCHEMBL5084423

SCHEMBL5084423

COc1cccc(/C=C/C(=O)c2ccccc2O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.80
AR P10275 3/20 0.80
NR1H4 Q96RI1 3/20 0.70
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
NFE2L2 Q16236 2/20 0.65
BCHE P06276 1/20 0.61
GUSB P08236 1/20 0.61
CYP1A1 P04798 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
ALOX5 P09917 1/20 0.61
ACHE P22303 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 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
SCHEMBL5084427 1.00 MAOB (0.80) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL1764951 0.90 NFE2L2 (0.70) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL20340323 0.89 MAOB (0.71) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL5084274 0.89 AR (1.00) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL30807180 0.89 AR (1.00) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL5084268 0.89 AR (1.00) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL4864045 0.89 NFE2L2 (0.72) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL5138170 0.88 MAOB (0.82) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL5138171 0.88 MAOB (0.82) MAOBARNR1H4ALDH1A1LMNA
SCHEMBL634205 0.86 NR1H4 (0.79) MAOBARNR1H4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831375-B Chalcone compound with anti-tumor activity and preparation method and application thereof 哈尔滨医科大学 2020-11-13 CN claimed
CN-109890378-A FOXO1 activity-inhibiting composition 三得利控股株式会社 2019-06-14 CN claimed
CN-109890376-A Composition is used in PGC-1 α activation 三得利控股株式会社 2019-06-14 CN claimed
CN-117999099-A Compositions for inhibiting angiotensin converting enzyme 2 (ACE 2) and/or TMPRSS2 expression 仿生技术支持有限公司 2024-05-07 CN disclosed
WO-2022163852-A1 COMPOSITION FOR INHIBITING EXPRESSION OF ANGIOTENSIN CONVERTING ENZYME 2 (ACE2) AND/OR TMPRSS2 株式会社 バイオミメティクスシンパシーズ 2022-08-04 WO disclosed
CN-106831375-B Chalcone compound with anti-tumor activity and preparation method and application thereof 哈尔滨医科大学 2020-11-13 CN disclosed
CN-109890376-A Composition is used in PGC-1 α activation 三得利控股株式会社 2019-06-14 CN disclosed
CN-109890378-A FOXO1 activity-inhibiting composition 三得利控股株式会社 2019-06-14 CN disclosed
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 US disclosed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 WO disclosed
US-20170071902-A1 NOX INHIBITOR AND NFkB INHIBITOR CONTAINING METHOXYFLAVONE SUNTORY HOLDINGS LIMITED (JP) 2017-03-16 US disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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 (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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MAOB 1213/4885AR 152/4885NR1H4 32/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 MAOB 3735/4885AR 143/4885NR1H4 46/4885
US-20170071902-A1 NOX INHIBITOR AND NFkB INHIBITOR CONTAINING METHOXYFLAVONE NOX1, NFKBIA, NOX5 MAOB 125/4885AR 3610/4885NR1H4 3535/4885

“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.