SCHEMBL5432809

SCHEMBL5432809

COc1ccc(C=CC(=O)c2cc(Cl)ccc2O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 1.00
CXCL12 P48061 4/20 0.76
MAPT P10636 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
ABCG2 Q9UNQ0 3/20 0.70
MAOB P27338 2/20 0.70
ACHE P22303 1/20 0.70
CHRNA7 P36544 1/20 0.67
MAOA P21397 1/20 0.66
CXCR4 P61073 1/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
ALOX12 P18054 1/20 0.65
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65
TDP1 Q9NUW8 1/20 0.65

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
SCHEMBL5432805 1.00 AR (1.00) ARCXCL12MAPTSMN1; SMN2ABCG2
SCHEMBL5087995 0.94 AR (1.00) ARCXCL12MAOBCHRNA7MAOA
SCHEMBL5088005 0.94 AR (1.00) ARCXCL12MAOBCHRNA7MAOA
SCHEMBL5426819 0.87 AR (0.79) ARCXCL12MAPTABCG2MAOB
SCHEMBL5426813 0.87 AR (0.79) ARCXCL12MAPTABCG2MAOB
SCHEMBL634098 0.86 PDE4A (0.82) ARMAPTSMN1; SMN2ABCG2MAOB
SCHEMBL5085637 0.86 MAPT (0.75) ARCXCL12MAPTSMN1; SMN2ABCG2
SCHEMBL634099 0.86 PDE4A (0.82) ARMAPTSMN1; SMN2ABCG2MAOB
SCHEMBL26616180 0.86 CXCL12 (0.81) ARCXCL12MAPTSMN1; SMN2ABCG2
SCHEMBL5085630 0.86 MAPT (0.75) ARCXCL12MAPTSMN1; SMN2ABCG2

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 3 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
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US 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 152/4885CXCL12 2220/4885MAPT 4566/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 AR 143/4885CXCL12 2622/4885MAPT 4210/4885

“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.