SCHEMBL2744071

SCHEMBL2744071

COc1cc(C=CC(=O)C=Cc2cc(OC)cc(OC)c2OC)c(OC)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
JUN P05412 1/20 0.64
NFKB1 P19838 1/20 0.64
NFE2L2 Q16236 3/20 0.59
CYP19A1 P11511 1/20 0.54
TFEB P19484 1/20 0.51
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
CAPN1 P07384 1/20 0.49
CTSB P07858 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.48
CYP1A2 P05177 1/20 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
SCHEMBL2744068 1.00 MAPT (0.64) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL7195677 0.84 ABCG2 (0.56) MAPTMEN1KMT2ANFKB1CYP19A1
SCHEMBL7194483 0.84 PDE4A (0.58) MAPTMEN1KMT2ACYP19A1PDE4A
SCHEMBL7194479 0.84 PDE4A (0.58) MAPTMEN1KMT2ACYP19A1PDE4A
SCHEMBL7195693 0.84 ABCG2 (0.56) MAPTMEN1KMT2ANFKB1CYP19A1
SCHEMBL11971151 0.83 JUN (0.55) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL11971158 0.83 JUN (0.55) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL2744224 0.83 NFE2L2 (0.66) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL2744176 0.82 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL7194891 0.81 ABCG2 (0.56) MAPTALDH1A1MEN1KMT2AJUN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3668/4885ALDH1A1 614/4885MEN1 3577/4885

“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.