SCHEMBL5433332

SCHEMBL5433332

COc1cc(C=CC(=O)c2cc(C)ccc2O)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.78
AR P10275 2/20 0.74
CXCL12 P48061 4/20 0.74
PTGS1 P23219 1/20 0.74
PTGS2 P35354 1/20 0.74
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
GSK3B P49841 1/20 0.65
BACE1 P56817 1/20 0.65
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP1A2 P05177 1/20 0.65
ALOX5 P09917 1/20 0.65
CYP2D6 P10635 1/20 0.65
HSD11B1 P28845 1/20 0.65
STAT3 P40763 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
SCHEMBL5433329 1.00 CHRNA7 (0.78) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL5085630 0.93 MAPT (0.75) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL5085637 0.93 MAPT (0.75) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL25191627 0.91 MEN1 (0.79) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL31233484 0.90 CXCL12 (0.74) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL15006425 0.90 CXCL12 (0.74) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL5137913 0.88 CHRNA7 (1.00) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL5137911 0.88 CHRNA7 (1.00) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL2052875 0.86 CHRNA7 (0.82) CHRNA7ARCXCL12PTGS1PTGS2
SCHEMBL5422585 0.86 MAPT (0.80) MEN1KMT2ATDP1BACE1MAPT

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 CHRNA7 684/4885AR 152/4885CXCL12 2220/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 CHRNA7 133/4885AR 143/4885CXCL12 2622/4885

“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.