SCHEMBL2744008

SCHEMBL2744008

CCOC(OC)Oc1c(OC)cc(/C=C/C(=O)/C=C/c2cc(OC)c(OC(OC)OCC)c(OC)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.52
CYP2D6 P10635 5/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
PTGS2 P35354 1/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
HTR1A P08908 3/20 0.48
HTR2C P28335 3/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NFKB1 P19838 4/20 0.47

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
SCHEMBL10969814 0.91 KDM4E (0.61) CYP1A2CYP2D6CYP2C9PTGS2KDM4E
SCHEMBL10968653 0.89 MAOB (0.55) CYP3A4BCHEACHEKDM4EALDH1A1
SCHEMBL9113593 0.85 MAPT (0.58) CYP1A2CYP2D6KDM4EALDH1A1LMNA
SCHEMBL10968007 0.83 MAOB (0.46) BCHEACHEKDM4EALDH1A1HPGD
SCHEMBL11022078 0.82 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL10965750 0.78 ALDH1A1 (0.45) CYP1A2CYP3A4TXNRD1KDM4EALDH1A1
SCHEMBL2743907 0.76 ALDH1A1 (0.77) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743909 0.76 ALDH1A1 (0.77) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743679 0.76 TNFRSF1A (0.52) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743680 0.76 TNFRSF1A (0.52) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6

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 CYP1A2 1717/4885CYP2D6 1871/4885CYP3A4 2309/4885

“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.