SCHEMBL3469319

SCHEMBL3469319

CCCc1cc(OC)c(OC)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
HTR2A P28223 8/20 0.54
TAAR1 Q96RJ0 3/20 0.52
HTR2C P28335 1/20 0.52
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL6375342 0.90 HTR2A (0.57) HMGCRSMN1; SMN2HTR2ATAAR1HTR2C
SCHEMBL14581250 0.88 SMN1; SMN2 (0.49) HMGCRSMN1; SMN2HTR2ATAAR1HTR2C
SCHEMBL14581261 0.86 SMN1; SMN2 (0.47) HMGCRSMN1; SMN2HTR2ATAAR1HTR2C
SCHEMBL25513088 0.86 HTR2A (0.72) HMGCRHTR2ATAAR1HTR2C
SCHEMBL31520294 0.86 HTR2A (0.72) HMGCRHTR2ATAAR1HTR2C
SCHEMBL14416271 0.85 HMGCR (0.58) HMGCRSMN1; SMN2HTR2ATAAR1HTR2C
SCHEMBL23222349 0.84 HMGCR (0.72) HMGCRHTR2ATAAR1
SCHEMBL27795529 0.83 HTR2A (0.52) SMN1; SMN2HTR2ATAAR1HTR2CPOLB
SCHEMBL13753907 0.83 SMN1; SMN2 (0.57) SMN1; SMN2HTR2ATAAR1HTR2CPOLB
SCHEMBL244435 0.82 HTR2A (0.76) SMN1; SMN2HTR2ATAAR1HTR2C

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-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
WO-2010113005-A2 ONE POT MULTICOMPONENT SYNTHESIS OF SOME NOVEL HYDROXY STILBENE DERIVATIVES WITH ALPHA, BETA-CARBONYL CONJUGATION UNDER MICROWAVE IRRADIATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-10-07 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 (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 HMGCR 232/4885SMN1; SMN2 4325/4885HTR2A 2293/4885

“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.