SCHEMBL5085100

SCHEMBL5085100

O=C(/C=C/c1ccc(Cl)cc1)c1cc(Cl)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.88
MAOB P27338 5/20 0.83
MAOA P21397 3/20 0.83
GUSB P08236 1/20 0.82
MAPT P10636 2/20 0.78
KMT2A Q03164 2/20 0.78
TDP1 Q9NUW8 2/20 0.78
KDM4E B2RXH2 1/20 0.78
ALDH1A1 P00352 1/20 0.78
PKM P14618 1/20 0.78
MEN1 O00255 1/20 0.76
NPC1 O15118 1/20 0.76
MAPK1 P28482 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
ABCG2 Q9UNQ0 1/20 0.68

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
SCHEMBL5085108 1.00 AR (0.88) ARMAOBMAOAGUSBMAPT
SCHEMBL5087961 0.91 MAOB (1.00) ARMAOBMAOAGUSBMAPT
SCHEMBL5087952 0.91 MAOB (1.00) ARMAOBMAOAGUSBMAPT
SCHEMBL10830261 0.91 AR (0.78) ARMAOBMAOAGUSBMAPT
SCHEMBL10830021 0.90 AR (1.00) ARMAOBMAOAGUSBMAPT
SCHEMBL11050763 0.90 AR (1.00) ARMAOBMAOAGUSBMAPT
SCHEMBL28906329 0.90 AR (0.76) ARMAOBMAOAGUSBMAPT
SCHEMBL5085079 0.89 MAOB (0.86) ARMAOBMAOAGUSBMAPT
SCHEMBL5437092 0.89 MAOB (0.86) ARMAOBMAOAGUSBMAPT
SCHEMBL5424561 0.88 MAOB (0.74) ARMAOBMAOAGUSBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-4461907-A Amino-substituted flavans useful as anti-viral agents BURROUGHS WELLCOME CO. 1984-07-24 US disclosed
EP-0004579-B1 FLAVANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1982-08-18 EP disclosed
EP-0004579-A1 Flavans, process for their preparation and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1979-10-17 EP 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 (2 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 AR 152/4885MAOB 1213/4885MAOA 1628/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 AR 143/4885MAOB 3735/4885MAOA 3153/4885

“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.