SCHEMBL3751380

SCHEMBL3751380

CCCC/C(=C\c1c(C)c(OC)c(OC)c(OC)c1OC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 6/20 0.53
ALOX5 P09917 10/20 0.40
PTGES O14684 6/20 0.39
PPARG P37231 5/20 0.38
PSEN1 P49768 6/20 0.33
IMPDH2 P12268 1/20 0.32

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
SCHEMBL3751383 1.00 APEX1 (0.53) APEX1ALOX5PTGESPPARGPSEN1
SCHEMBL3744524 0.94 APEX1 (0.55) APEX1ALOX5PPARG
SCHEMBL3744526 0.94 APEX1 (0.55) APEX1ALOX5PPARG
SCHEMBL3746161 0.91 APEX1 (0.43) APEX1ALOX5PTGESPPARGIMPDH2
SCHEMBL3746158 0.91 APEX1 (0.43) APEX1ALOX5PTGESPPARGIMPDH2
SCHEMBL22172492 0.86 APEX1 (0.55) APEX1ALOX5PTGESPPARG
SCHEMBL3750607 0.84 APEX1 (0.35) APEX1PSEN1IMPDH2
SCHEMBL3750604 0.84 APEX1 (0.35) APEX1PSEN1IMPDH2
SCHEMBL3744569 0.84 APEX1 (0.50) APEX1ALOX5PTGESPPARGPSEN1
SCHEMBL3744567 0.84 APEX1 (0.50) APEX1ALOX5PTGESPPARGPSEN1

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.