SCHEMBL2744320

SCHEMBL2744320

O=C(C=Cc1cccc([N+](=O)[O-])c1)C=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
MAOB P27338 1/20 0.70
NFE2L2 Q16236 2/20 0.67
FBP1 P09467 1/20 0.65
VCP P55072 1/20 0.65
CYP19A1 P11511 1/20 0.65
ALDH1A1 P00352 3/20 0.64
ITGB2 P05107 1/20 0.64
ICAM1 P05362 1/20 0.64
ITGAL P20701 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HSP90AA1 P07900 3/20 0.63
MITF O75030 1/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
ATM Q13315 1/20 0.63
TGM2 P21980 1/20 0.60
GAA P10253 1/20 0.60
TRPV1 Q8NER1 2/20 0.59
MEN1 O00255 1/20 0.59

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
SCHEMBL2744313 1.00 MAPT (0.70) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL28417884 0.91 CYP19A1 (0.63) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL29538505 0.91 CYP19A1 (0.63) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL29428456 0.91 MAPT (0.63) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL29626695 0.88 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL448381 0.88 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL426380 0.88 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL4179178 0.88 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP
3-Nitro-Cinnamic Acid SCHEMBL3290556 0.88 MAPT (0.73) MAPTMAOBNFE2L2FBP1VCP
SCHEMBL3726937 0.87 MAPT (0.67) MAPTMAOBNFE2L2FBP1VCP

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-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
US-RE29358-E ANTI-MALARIA AND ANTI-TUBERCULOSIS AGENTS AMERICAN CYANAMID COMPANY (US) 1977-08-16 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 3668/4885MAOB 2796/4885NFE2L2 109/4885

“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.