SCHEMBL2743869

SCHEMBL2743869

COc1ccc(C=CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 1/20 0.75
TNFRSF1A P19438 2/20 0.74
TUBB4A P04350 1/20 0.73
TUBB P07437 1/20 0.73
TUBA3C P0DPH7 1/20 0.73
TUBA1B P68363 1/20 0.73
TUBA4A P68366 1/20 0.73
TUBB4B P68371 1/20 0.73
TUBB3 Q13509 1/20 0.73
TUBB2A Q13885 1/20 0.73
TUBB8 Q3ZCM7 1/20 0.73
TUBA3E Q6PEY2 1/20 0.73
TUBA1A Q71U36 1/20 0.73
TUBA1C Q9BQE3 1/20 0.73
TUBB6 Q9BUF5 1/20 0.73
TUBB2B Q9BVA1 1/20 0.73
TUBB1 Q9H4B7 1/20 0.73
ABCG2 Q9UNQ0 5/20 0.69
NFKB1 P19838 3/20 0.68
JUN P05412 2/20 0.68

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
SCHEMBL2743867 1.00 F3 (0.75) F3TNFRSF1ATUBB4ATUBBTUBA3C
SCHEMBL2743876 0.92 NFKB1 (0.79) TNFRSF1AABCG2NFKB1JUNCA2
SCHEMBL30493821 0.92 NFKB1 (0.79) TNFRSF1AABCG2NFKB1JUNCA2
SCHEMBL2743877 0.92 NFKB1 (0.79) TNFRSF1AABCG2NFKB1JUNCA2
SCHEMBL28356985 0.88 CYP2D6 (0.69) F3ABCG2NFKB1JUNCA2
SCHEMBL2744101 0.87 F3 (1.00) F3NFKB1ALDH1A1STAT3NFKB2
SCHEMBL2744098 0.87 F3 (1.00) F3NFKB1ALDH1A1STAT3NFKB2
SCHEMBL14331811 0.87 F3 (1.00) F3NFKB1ALDH1A1STAT3NFKB2
SCHEMBL2743899 0.86 TUBB4A (0.73) F3TNFRSF1ATUBB4ATUBBTUBA3C
SCHEMBL2743902 0.86 TUBB4A (0.73) F3TNFRSF1ATUBB4ATUBBTUBA3C

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 F3 3373/4885TNFRSF1A 2352/4885TUBB4A 874/4885

“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.