SCHEMBL2744657

SCHEMBL2744657

COc1cc(OC)c(OC)cc1C=CC(=O)C=Cc1cc(OC)c(OC)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 1.00
ABCG2 Q9UNQ0 1/20 0.69
ALDH1A1 P00352 2/20 0.64
MAPT P10636 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
TFEB P19484 1/20 0.59
CYP3A4 P08684 2/20 0.59
HMGCR P04035 1/20 0.59
SNCA P37840 2/20 0.57
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 1/20 0.55
APP P05067 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 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
SCHEMBL2744488 1.00 NFE2L2 (1.00) NFE2L2ABCG2ALDH1A1MAPTMEN1
SCHEMBL30871940 0.86 NFE2L2 (0.76) NFE2L2ABCG2ALDH1A1CYP3A4HMGCR
SCHEMBL29931173 0.86 NFE2L2 (0.76) NFE2L2ABCG2ALDH1A1MAPTMEN1
SCHEMBL715805 0.86 NFE2L2 (0.76) NFE2L2ABCG2ALDH1A1CYP3A4HMGCR
SCHEMBL715804 0.86 NFE2L2 (0.76) NFE2L2ABCG2ALDH1A1CYP3A4HMGCR
SCHEMBL24728151 0.86 NFE2L2 (0.76) NFE2L2ABCG2ALDH1A1MAPTMEN1
SCHEMBL3675045 0.85 NFE2L2 (0.73) NFE2L2ABCG2ALDH1A1MAPTMEN1
SCHEMBL14875236 0.85 NFE2L2 (0.73) NFE2L2ABCG2ALDH1A1MAPTMEN1
SCHEMBL14875237 0.85 NFE2L2 (0.73) NFE2L2ABCG2ALDH1A1MAPTMEN1
SCHEMBL29565901 0.85 NFE2L2 (0.73) NFE2L2ABCG2ALDH1A1MAPTMEN1

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 2 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 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 NFE2L2 109/4885ABCG2 653/4885ALDH1A1 614/4885

“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.