SCHEMBL5085503

SCHEMBL5085503

Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
MAOA P21397 5/20 0.58
MAOB P27338 5/20 0.58
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
POLB P06746 3/20 0.51
RAB9A P51151 1/20 0.51
CXCL12 P48061 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL5085506 1.00 MAPT (0.64) MAPTMAOAMAOBALDH1A1CYP3A4
SCHEMBL5138124 0.86 MAPT (0.63) MAPTMAOAMAOBALDH1A1CYP3A4
SCHEMBL5138125 0.86 MAPT (0.63) MAPTMAOAMAOBALDH1A1CYP3A4
SCHEMBL20608588 0.85 MAOB (0.64) MAPTMAOAMAOBALDH1A1HPGD
SCHEMBL20608589 0.85 MAOB (0.64) MAPTMAOAMAOBALDH1A1HPGD
SCHEMBL25510576 0.85 P4HB (0.54) MAPTMAOAMAOBALDH1A1CYP3A4
SCHEMBL30744137 0.85 MAPT (0.67) MAPTMAOAMAOBALDH1A1CYP3A4
SCHEMBL5138841 0.85 MAPT (0.67) MAPTMAOAMAOBALDH1A1CYP3A4
SCHEMBL5138843 0.85 MAPT (0.67) MAPTMAOAMAOBALDH1A1CYP3A4
SCHEMBL2070061 0.81 MAOA (0.68) MAPTMAOAMAOBPOLBRAB9A

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 MAPT 4566/4885MAOA 1628/4885MAOB 1213/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 MAPT 4210/4885MAOA 3153/4885MAOB 3735/4885

“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.