SCHEMBL3744567

SCHEMBL3744567

CCCC/C(=C\c1c(C)c(OC)c2ccccc2c1OC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.50
ALOX5 P09917 8/20 0.44
PTGES O14684 5/20 0.44
PPARG P37231 4/20 0.44
PSEN1 P49768 5/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3744569 1.00 APEX1 (0.50) APEX1ALOX5PTGESPPARGPSEN1
SCHEMBL3677821 0.95 APEX1 (0.52) APEX1ALOX5PTGESPPARGCES2
SCHEMBL3677814 0.95 APEX1 (0.52) APEX1ALOX5PTGESPPARGCES2
SCHEMBL13080083 0.94 APEX1 (0.41) APEX1ALOX5PTGESPPARGKDM4E
SCHEMBL13080069 0.94 APEX1 (0.41) APEX1ALOX5PTGESPPARGKDM4E
SCHEMBL13080070 0.87 KDM4E (0.39) APEX1PSEN1KDM4ECYP1A2CYP2C9
SCHEMBL13080082 0.87 KDM4E (0.39) APEX1PSEN1KDM4ECYP1A2CYP2C9
SCHEMBL13080092 0.86 APEX1 (0.51) APEX1ALOX5PTGESPPARGKDM4E
SCHEMBL3677795 0.86 APEX1 (0.51) APEX1ALOX5PTGESPPARGKDM4E
SCHEMBL3677796 0.86 APEX1 (0.51) APEX1ALOX5PTGESPPARGKDM4E

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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
EP-2203161-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Indiana University Research and Technology Corporation (US) 2010-07-07 EP disclosed
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 WO 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.