SCHEMBL3755606

SCHEMBL3755606

CCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 15/20 0.70
ALOX5 P09917 4/20 0.44
PTGES O14684 3/20 0.44
PPARG P37231 2/20 0.44
MAP2K7 O14733 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42

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
SCHEMBL3755601 1.00 APEX1 (0.70) APEX1ALOX5PTGESPPARGMAP2K7
SCHEMBL3671407 0.95 APEX1 (0.69) APEX1MAP2K7CDC25ACDC25B
SCHEMBL3671408 0.95 APEX1 (0.69) APEX1MAP2K7CDC25ACDC25B
SCHEMBL15711357 0.88 APEX1 (0.55) APEX1MAP2K7CDC25ACDC25B
SCHEMBL13894582 0.86 APEX1 (0.74) APEX1MAP2K7CDC25ACDC25B
SCHEMBL14135165 0.86 APEX1 (0.53) APEX1MAP2K7CDC25ACDC25B
SCHEMBL17833998 0.86 APEX1 (0.53) APEX1MAP2K7CDC25ACDC25B
SCHEMBL15711188 0.86 APEX1 (0.53) APEX1MAP2K7CDC25ACDC25B
SCHEMBL15705627 0.85 APEX1 (0.62) APEX1ALOX5PTGESPPARGMAP2K7
SCHEMBL19500018 0.85 APEX1 (0.52) APEX1MAP2K7CDC25ACDC25B

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
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-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 1/4885ALOX5 1880/4885PTGES 2346/4885

“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.