SCHEMBL2743875

SCHEMBL2743875

C#CCOc1c(OC)cc(C=CC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
HTT P42858 2/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 1/20 0.56
HTR1A P08908 1/20 0.56
HTR2C P28335 1/20 0.56
TXNRD1 Q16881 1/20 0.54
TXNRD3 Q86VQ6 1/20 0.54
TXNRD2 Q9NNW7 1/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
TNFRSF1A P19438 4/20 0.53
ALOX5 P09917 1/20 0.51
NFKB1 P19838 1/20 0.51
STAT3 P40763 1/20 0.51

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
SCHEMBL2743872 1.00 KDM4E (0.56) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2744038 0.97 CYP1A2 (0.56) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2744034 0.97 CYP1A2 (0.56) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2743681 0.91 CYP1A2 (0.50) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2743682 0.91 CYP1A2 (0.50) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2744176 0.88 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2743855 0.88 HTT (0.66) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2743857 0.88 HTT (0.66) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2744177 0.87 CYP1A2 (0.46) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL2744170 0.87 CYP1A2 (0.46) KDM4EALDH1A1HPGDHTTHSD17B10

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 KDM4E 623/4885ALDH1A1 614/4885HPGD 1340/4885

“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.