SCHEMBL2744176

SCHEMBL2744176

C#CCOc1c(OC)cc(/C=C/C(=O)/C=C/c2cc(OC)cc(OC)c2OC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NFKB1 P19838 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
JUN P05412 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
TNFRSF1A P19438 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HTR1A P08908 1/20 0.44
HPGD P15428 1/20 0.44
HTR2C P28335 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TXNRD1 Q16881 1/20 0.44

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 0.88 KDM4E (0.56) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL2743875 0.88 KDM4E (0.56) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL2744034 0.88 CYP1A2 (0.56) ALDH1A1NFKB1MAPTJUNCYP1A2
SCHEMBL2744038 0.88 CYP1A2 (0.56) ALDH1A1NFKB1MAPTJUNCYP1A2
SCHEMBL2743681 0.82 CYP1A2 (0.50) ALDH1A1NFKB1MAPTJUNCYP1A2
SCHEMBL2743682 0.82 CYP1A2 (0.50) ALDH1A1NFKB1MAPTJUNCYP1A2
SCHEMBL2744071 0.82 MAPT (0.64) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL2744068 0.82 MAPT (0.64) ALDH1A1NFKB1MAPTMEN1KMT2A
SCHEMBL2744170 0.81 CYP1A2 (0.46) ALDH1A1NFKB1MAPTCYP1A2CYP3A4
SCHEMBL2744177 0.81 CYP1A2 (0.46) ALDH1A1NFKB1MAPTCYP1A2CYP3A4

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 ALDH1A1 614/4885NFKB1 328/4885MAPT 3668/4885

“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.