SCHEMBL2744009

SCHEMBL2744009

COCCOCOc1c(OC)cc(/C=C/C(=O)/C=C/c2cc(OC)c(OCOCCOC)c(OC)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.60
CYP1A2 P05177 4/20 0.54
CYP2D6 P10635 4/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
NFKB1 P19838 4/20 0.51
ALOX5 P09917 4/20 0.51
STAT3 P40763 4/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
NFE2L2 Q16236 3/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
HTR1A P08908 1/20 0.49
HTR2C P28335 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL10737031 0.91 KDM4E (0.62) TNFRSF1ACYP2C9KDM4EALDH1A1HPGD
SCHEMBL10737039 0.91 KDM4E (0.62) TNFRSF1ACYP2C9KDM4EALDH1A1HPGD
SCHEMBL2743834 0.87 CYP1A2 (0.61) TNFRSF1ACYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL2743832 0.87 CYP1A2 (0.61) TNFRSF1ACYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL10733192 0.86 FDPS (0.58) TNFRSF1ACYP1A2CYP2D6CYP3A4ALOX5
SCHEMBL10733195 0.86 FDPS (0.58) TNFRSF1ACYP1A2CYP2D6CYP3A4ALOX5
SCHEMBL9672665 0.85 TNFRSF1A (0.52) TNFRSF1ACYP1A2CYP2D6CYP2C9KDM4E
SCHEMBL9672672 0.85 TNFRSF1A (0.52) TNFRSF1ACYP1A2CYP2D6CYP2C9KDM4E
SCHEMBL9113601 0.84 TNFRSF1A (0.64) TNFRSF1ACYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL10731376 0.84 KDM4E (0.56) TNFRSF1ACYP1A2CYP3A4STAT3KDM4E

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-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 claimed
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 TNFRSF1A 2352/4885CYP1A2 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.