SCHEMBL13049412

SCHEMBL13049412

COC(=O)/C(C)=C\C1=C(Cl)C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 11/20 0.71
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
CDC25A P30304 2/20 0.44
CDC25B P30305 2/20 0.44
IDO1 P14902 1/20 0.43
DNMT1 P26358 1/20 0.43
DNMT3L Q9UJW3 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
PTPN6 P29350 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PAX8 Q06710 2/20 0.41
TLR9 Q9NR96 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13049663 1.00 APEX1 (0.71) APEX1HSP90AA1HSP90AB1CDC25ACDC25B
SCHEMBL13894615 0.89 APEX1 (0.57) APEX1HSP90AA1HSP90AB1CDC25ACDC25B
SCHEMBL20123229 0.89 APEX1 (0.57) APEX1HSP90AA1HSP90AB1CDC25ACDC25B
SCHEMBL16938348 0.85 APEX1 (0.66) APEX1HSP90AA1HSP90AB1IDO1ALDH1A1
SCHEMBL3743461 0.83 APEX1 (1.00) APEX1HSP90AA1HSP90AB1CDC25AIDO1
SCHEMBL3743465 0.83 APEX1 (1.00) APEX1HSP90AA1HSP90AB1CDC25AIDO1
SCHEMBL3745788 0.83 APEX1 (1.00) APEX1HSP90AA1HSP90AB1CDC25AIDO1
SCHEMBL13080051 0.81 APEX1 (0.64) APEX1HSP90AA1HSP90AB1CDC25ACDC25B
SCHEMBL13894609 0.79 APEX1 (0.75) APEX1HSP90AA1HSP90AB1CDC25AIDO1
SCHEMBL13049441 0.77 APEX1 (1.00) APEX1HSP90AA1HSP90AB1CDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 APEX1 1/4885HSP90AA1 1992/4885HSP90AB1 1645/4885

“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.