SCHEMBL2743727

SCHEMBL2743727

CCOC(C)OCCOc1c(OC)cc(C=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
ALDH1A1 P00352 13/20 0.41
MAPK1 P28482 2/20 0.41
TNFRSF1A P19438 1/20 0.40
MAPT P10636 7/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL9136808 0.87 TUBB1 (0.44) FDPSALDH1A1MAPK1MAPTHTT
SCHEMBL2743679 0.83 TNFRSF1A (0.52) FDPSALDH1A1TNFRSF1AMAPTHTT
SCHEMBL2743680 0.83 TNFRSF1A (0.52) FDPSALDH1A1TNFRSF1AMAPTHTT
SCHEMBL7467304 0.79 FDPS (0.57) FDPSALDH1A1MAPK1TNFRSF1AMAPT
SCHEMBL7466433 0.79 FDPS (0.53) FDPSALDH1A1MAPK1TNFRSF1AMAPT
SCHEMBL7461886 0.78 FDPS (0.51) FDPSALDH1A1MAPK1MAPTLMNA
SCHEMBL14835326 0.78 FDPS (0.49) FDPSALDH1A1MAPK1TNFRSF1AMAPT
SCHEMBL24110817 0.78 ALDH1A1 (0.39) FDPSALDH1A1MAPK1MAPTTSHR
SCHEMBL7462928 0.77 FDPS (0.51) FDPSALDH1A1MAPK1TNFRSF1AMAPT
Ethylene SCHEMBL5783390 0.77 ALDH1A1 (0.40) FDPSALDH1A1MAPK1MAPTHTT

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 FDPS 3613/4885ALDH1A1 614/4885MAPK1 546/4885

“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.