SCHEMBL3043458

SCHEMBL3043458

COc1ccc(C=Cc2cccc(OC)c2O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.75
ABCB1 P08183 1/20 0.75
BCR P11274 1/20 0.75
RELA Q04206 3/20 0.74
NFE2L2 Q16236 8/20 0.57
CYP1A1 P04798 2/20 0.57
CYP1B1 Q16678 2/20 0.57
BACE1 P56817 1/20 0.57
CYP1A2 P05177 1/20 0.57
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
TLR2 O60603 1/20 0.56
ERN1 O75460 1/20 0.56
TLR1 Q15399 1/20 0.56
TLR6 Q9Y2C9 1/20 0.56
TRPA1 O75762 2/20 0.53

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
SCHEMBL28472138 1.00 ABL1 (0.75) ABL1ABCB1BCRRELANFE2L2
SCHEMBL2947228 0.87 NFE2L2 (0.71) ABL1ABCB1BCRRELANFE2L2
SCHEMBL2947227 0.87 NFE2L2 (0.71) ABL1ABCB1BCRRELANFE2L2
SCHEMBL28476046 0.86 ABL1 (0.64) ABL1ABCB1BCRRELANFE2L2
SCHEMBL28476047 0.86 ABL1 (0.64) ABL1ABCB1BCRRELANFE2L2
SCHEMBL5492964 0.85 RELA (1.00) ABL1ABCB1BCRRELANFE2L2
SCHEMBL5492969 0.85 RELA (1.00) ABL1ABCB1BCRRELANFE2L2
SCHEMBL700257 0.83 NFE2L2 (0.76) RELANFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL700256 0.83 NFE2L2 (0.76) RELANFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL17680678 0.83 RELA (0.72) ABL1ABCB1BCRRELANFE2L2

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
CN-111848560-A Preparation method of benzofuran derivative 中国科学院成都生物研究所 2020-10-30 CN disclosed
WO-2010097811-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed
US-20070276172-A1 Single step microwave induced process for the preparation of substituted stilbenes and its analogs COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-11-29 US disclosed
WO-2007110883-A1 A SINGLE STEP MICROWAVE INDUCED PROCESS FOR THE PREPARATION OF SUBSTITUTED STILBENES AND ITS ANALOGS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-10-04 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-20070276172-A1 Single step microwave induced process for the preparation of substituted stilbenes and its analogs HRH3, HPD, TET2 ABL1 1030/4885ABCB1 4716/4885BCR 4016/4885

“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.