SCHEMBL2743832

SCHEMBL2743832

COCOc1c(OC)cc(/C=C/C(=O)/C=C/c2cc(OC)c(OCOC)c(OC)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.61
CYP2D6 P10635 4/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2B6 P20813 1/20 0.61
NFKB1 P19838 4/20 0.57
ALOX5 P09917 4/20 0.57
STAT3 P40763 4/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
NFE2L2 Q16236 3/20 0.57
TXNRD1 Q16881 1/20 0.57
TXNRD3 Q86VQ6 1/20 0.57
TXNRD2 Q9NNW7 1/20 0.57
TNFRSF1A P19438 2/20 0.56
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL2743834 1.00 CYP1A2 (0.61) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743682 0.89 CYP1A2 (0.50) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743681 0.89 CYP1A2 (0.50) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2744009 0.87 TNFRSF1A (0.60) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743909 0.83 ALDH1A1 (0.77) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743907 0.83 ALDH1A1 (0.77) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2744007 0.83 CYP1A2 (0.52) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2744012 0.83 CYP1A2 (0.52) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743979 0.83 CYP1A2 (0.59) CYP1A2CYP2D6CYP3A4CYP2C9CYP2B6
SCHEMBL2743978 0.83 CYP1A2 (0.59) 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 7 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-20250093345-A1 Optical biomodule for detection of diseases at an early onset MAZED MOHAMMAD A (US) 2025-03-20 US disclosed
US-12135286-B1 Optical biomodule for detection of diseases at an early onset MAZED MOHAMMAD A (US) 2024-11-05 US disclosed
US-11747279-B2 Optical biomodule for detection of diseases at an early onset MAZED MOHAMMAD A (US) 2023-09-05 US disclosed
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.