SCHEMBL2976014

SCHEMBL2976014

CCOc1cc(C=Cc2ccc(OC)c(N)c2)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.64
AHR P35869 3/20 0.64
ABL1 P00519 2/20 0.59
ABCB1 P08183 2/20 0.59
BCR P11274 2/20 0.59
NQO2 P16083 4/20 0.59
TTR P02766 2/20 0.59
CYP1A1 P04798 2/20 0.59
CYP1B1 Q16678 2/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
MYC P01106 1/20 0.59
TUBB1 Q9H4B7 6/20 0.58
TUBB4A P04350 5/20 0.58
TUBB P07437 5/20 0.58
TUBA3C P0DPH7 5/20 0.58
TUBA1B P68363 5/20 0.58
TUBA4A P68366 5/20 0.58
TUBB4B P68371 5/20 0.58
TUBB3 Q13509 5/20 0.58
TUBB2A Q13885 5/20 0.58

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
SCHEMBL2976085 1.00 ESR1 (0.64) ESR1AHRABL1ABCB1BCR
SCHEMBL2976010 1.00 ESR1 (0.64) ESR1AHRABL1ABCB1BCR
SCHEMBL1284984 0.90 NQO2 (0.72) ESR1AHRABL1ABCB1BCR
SCHEMBL14027997 0.90 NQO2 (0.72) ESR1AHRABL1ABCB1BCR
SCHEMBL1284983 0.90 NQO2 (0.72) ESR1AHRABL1ABCB1BCR
SCHEMBL2973745 0.85 TUBB1 (0.55) ESR1AHRABL1ABCB1BCR
SCHEMBL2980124 0.85 NQO2 (0.55) ESR1AHRABL1ABCB1BCR
SCHEMBL2981370 0.85 NQO2 (0.55) ESR1AHRABL1ABCB1BCR
SCHEMBL2973741 0.85 TUBB1 (0.55) ESR1AHRABL1ABCB1BCR
SCHEMBL2980122 0.85 NQO2 (0.55) ESR1AHRABL1ABCB1BCR

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-7781580-B2 Stilbene derivatives as new cancer therapeutic agents VIRGINIA COMMONWEALTH UNIVERSITY (US) 2010-08-24 US disclosed
WO-2008131320-A1 STILBENE DERIVATIVES AS NEW CANCER THERAPEUTIC AGENTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2008-10-30 WO disclosed
US-20080261982-A1 STILBENE DERIVATIVES AS NEW CANCER THERAPEUTIC AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2008-10-23 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 (1 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-20080261982-A1 STILBENE DERIVATIVES AS NEW CANCER THERAPEUTIC AGENTS HDGF, TIE1, VEGFA ESR1 3637/4885AHR 4030/4885ABL1 2161/4885

“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.