SCHEMBL2744668

SCHEMBL2744668

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.74
▸ NFE2L2 Q16236 2/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ ALOX5 P09917 1/20 0.74
▸ CYP2D6 P10635 1/20 0.74
▸ HSD11B1 P28845 1/20 0.74
▸ STAT3 P40763 1/20 0.74
▸ NFKB2 Q00653 1/20 0.74
▸ RELA Q04206 1/20 0.74
▸ JUN P05412 1/20 0.68
▸ CA2 P00918 1/20 0.68
▸ APP P05067 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ HSD17B10 Q99714 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
SCHEMBL2744663 1.00 NFKB1 (0.74) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL2744728 0.95 NFKB1 (0.76) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL2744733 0.95 NFKB1 (0.76) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL30493821 0.92 NFKB1 (0.79) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL2743877 0.92 NFKB1 (0.79) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL2743876 0.92 NFKB1 (0.79) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL27974543 0.91 TUBB1 (0.77) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL2744234 0.91 CYP2D6 (0.91) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL2744233 0.91 CYP2D6 (0.91) NFKB1NFE2L2CYP1A2ALOX5CYP2D6
SCHEMBL27974391 0.90 BACE1 (0.80) NFKB1NFE2L2CYP1A2ALOX5CYP2D6

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-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

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 328/4885NFE2L2 109/4885CYP1A2 1717/4885

“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.

Send feedback