SCHEMBL5085630

SCHEMBL5085630

COc1ccc(/C=C/C(=O)c2cc(C)ccc2O)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
AR P10275 2/20 0.75
ABCG2 Q9UNQ0 4/20 0.72
ACHE P22303 1/20 0.72
MAOB P27338 1/20 0.72
CHRNA7 P36544 1/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
ALOX12 P18054 1/20 0.67
MAPK1 P28482 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
PDE4A P27815 2/20 0.66
PDE4B Q07343 2/20 0.66
PDE4C Q08493 2/20 0.66

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
SCHEMBL5085637 1.00 MAPT (0.75) MAPTSMN1; SMN2ARABCG2ACHE
SCHEMBL5433329 0.93 CHRNA7 (0.78) MAPTSMN1; SMN2ARCHRNA7MEN1
SCHEMBL5433332 0.93 CHRNA7 (0.78) MAPTSMN1; SMN2ARCHRNA7MEN1
SCHEMBL634099 0.87 PDE4A (0.82) MAPTSMN1; SMN2ARABCG2ACHE
SCHEMBL634098 0.87 PDE4A (0.82) MAPTSMN1; SMN2ARABCG2ACHE
SCHEMBL19086304 0.86 ABCG2 (0.78) MAPTSMN1; SMN2ARABCG2ACHE
SCHEMBL19086305 0.86 ABCG2 (0.78) MAPTSMN1; SMN2ARABCG2ACHE
SCHEMBL15266958 0.86 SMN1; SMN2 (1.00) MAPTSMN1; SMN2ARABCG2ACHE
SCHEMBL15266954 0.86 SMN1; SMN2 (1.00) MAPTSMN1; SMN2ARABCG2ACHE
SCHEMBL8173909 0.86 SMN1; SMN2 (0.73) MAPTSMN1; SMN2ARABCG2ACHE

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 4 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-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 4566/4885SMN1; SMN2 3973/4885AR 152/4885
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 MAPT 4210/4885SMN1; SMN2 3164/4885AR 143/4885

“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.