SCHEMBL2744733

SCHEMBL2744733

COc1ccc(C=CC(=O)C=Cc2ccc(OC)c(O)c2)cc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.76
CYP1A2 P05177 2/20 0.76
CYP2D6 P10635 2/20 0.76
ALOX5 P09917 2/20 0.76
HSD11B1 P28845 1/20 0.76
STAT3 P40763 1/20 0.76
NFKB2 Q00653 1/20 0.76
RELA Q04206 1/20 0.76
NFE2L2 Q16236 1/20 0.76
APP P05067 2/20 0.68
MAPT P10636 2/20 0.68
TUBB1 Q9H4B7 6/20 0.67
TUBB4A P04350 1/20 0.67
TUBB P07437 1/20 0.67
TUBA3C P0DPH7 1/20 0.67
TUBA1B P68363 1/20 0.67
TUBA4A P68366 1/20 0.67
TUBB4B P68371 1/20 0.67
TUBB3 Q13509 1/20 0.67
TUBB2A Q13885 1/20 0.67

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
SCHEMBL2744728 1.00 NFKB1 (0.76) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL2744663 0.95 NFKB1 (0.74) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL2744668 0.95 NFKB1 (0.74) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL27974543 0.92 TUBB1 (0.77) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL27974391 0.91 BACE1 (0.80) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL3337939 0.91 CYP1A2 (0.63) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL3337937 0.91 CYP1A2 (0.63) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL14008360 0.90 NFKB1 (0.62) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL14035464 0.90 NFKB1 (0.62) NFKB1CYP1A2CYP2D6ALOX5HSD11B1
SCHEMBL608770 0.89 BACE1 (0.70) NFKB1CYP1A2CYP2D6ALOX5HSD11B1

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-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER SHIBATA, HIROYUKI (JP) 2010-06-17 US claimed
US-8178727-B2 Bis(arylmethylidene)acetone compound, anti-cancer agent, carcinogenesis-preventive agent, inhibitor of expression of Ki-Ras, ErbB2, c-Myc and Cycline D1, β-catenin-degrading agent, and p53 expression enhancer NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2012-05-15 US disclosed
US-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER SHIBATA, HIROYUKI (JP) 2010-06-17 US disclosed
US-5466397-A Polyethers, epoxy resins, polycarbonates THE DOW CHEMICAL COMPANY (US) 1995-11-14 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-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER MYC, CCNE2, CCNE1 NFKB1 328/4885CYP1A2 1717/4885CYP2D6 1871/4885

“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.