SCHEMBL5138775

SCHEMBL5138775

Cc1cc(O)c(C(=O)/C=C/c2ccccc2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.63
MAPT P10636 4/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.58
THRB P10828 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GUSB P08236 1/20 0.58
NFE2L2 Q16236 1/20 0.57
BCHE P06276 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAOB P27338 3/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL5138776 1.00 AR (0.63) ARMAPTKDM4EMEN1ALDH1A1
SCHEMBL5426910 0.89 MAOB (0.64) ARMAPTKDM4EMEN1ALDH1A1
SCHEMBL5426906 0.89 MAOB (0.64) ARMAPTKDM4EMEN1ALDH1A1
SCHEMBL30000230 0.88 AR (0.75) ARMAPTKDM4EMEN1ALDH1A1
SCHEMBL30000672 0.88 MAPT (0.65) ARMAPTKDM4EMEN1ALDH1A1
SCHEMBL19183057 0.84 ACHE (0.72) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL19183056 0.84 ACHE (0.72) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL29011938 0.84 MAPT (0.63) ARMAPTKDM4EMEN1ALDH1A1
SCHEMBL11719877 0.84 NFE2L2 (0.66) ARMAPTKDM4EMEN1ALDH1A1
SCHEMBL11719882 0.84 NFE2L2 (0.66) ARMAPTKDM4EMEN1ALDH1A1

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 5 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

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 152/4885MAPT 4566/4885KDM4E 1065/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 AR 143/4885MAPT 4210/4885KDM4E 2893/4885

“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.