SCHEMBL9950759

SCHEMBL9950759

COc1cc(Br)c(C(C)C(=O)O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
GAA P10253 1/20 0.42
PRKDC P78527 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
LDHA P00338 1/20 0.40

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
SCHEMBL19286761 0.84 CYP1A2 (0.52) LCKFYNCYP1A2CYP3A4CYP2C9
SCHEMBL30824278 0.83 PTGS2 (0.55) LCKFYNCYP1A2CYP3A4PTGS1
SCHEMBL490436 0.83 PTGS2 (0.55) LCKFYNCYP1A2CYP3A4PTGS1
SCHEMBL28282836 0.77 PTGS2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL24456201 0.77 GAA (0.48) LCKFYNCYP1A2CYP3A4CYP2C9
SCHEMBL7281047 0.77 CYP1A2 (0.46) LCKFYNCYP1A2CYP3A4CYP2C9
SCHEMBL16293581 0.76 PTGS1 (0.60) CYP1A2CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL16293535 0.76 PTGS1 (0.60) CYP1A2CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL16293537 0.76 PTGS1 (0.60) CYP1A2CYP2C9CYP2C19PTGS1PTGS2
SCHEMBL9037513 0.76 PTGS2 (0.55) CYP1A2CYP2C19PTGS1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716532-B2 One pot multicomponent synthesis of some novel hydroxy stilbene derivatives with alpha, beta-carbonyl conjugation under microwave irradiation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-05-06 US disclosed
US-20120165567-A1 ONE POT MULTICOMPONENT SYNTHESIS OF SOME NOVEL HYDROXY STILBENE DERIVATIVES WITH ALPHA, BETA-CARBONYL CONJUGATION UNDER MICROWAVE IRRADIATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-06-28 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-20120165567-A1 ONE POT MULTICOMPONENT SYNTHESIS OF SOME NOVEL HYDROXY STILBENE DERIVATIVES WITH ALPHA, BETA-CARBONYL CONJUGATION UNDER MICROWAVE IRRADIATION SIK1, SIK2, HCK LCK 2099/4885FYN 2910/4885CYP1A2 1779/4885

“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.