SCHEMBL3752883

SCHEMBL3752883

COc1c(C)c(C=C(C)C(=O)O)c(OC)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.45
AKR1C3 P42330 1/20 0.37
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
IMPDH2 P12268 12/20 0.33
GPR35 Q9HC97 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
SCHEMBL3752882 1.00 APEX1 (0.45) APEX1AKR1C3MAPTHPGDIMPDH2
SCHEMBL3745872 0.80 AKR1C3 (0.46) APEX1AKR1C3
SCHEMBL13080072 0.80 AKR1C3 (0.46) APEX1AKR1C3
SCHEMBL3745875 0.80 AKR1C3 (0.46) APEX1AKR1C3
SCHEMBL3758354 0.80 APEX1 (0.46) APEX1AKR1C3IMPDH2
SCHEMBL3758348 0.80 APEX1 (0.46) APEX1AKR1C3IMPDH2
SCHEMBL13080203 0.80 MEN1 (0.40) MAPTHPGDIMPDH2
SCHEMBL3750607 0.77 APEX1 (0.35) APEX1IMPDH2
SCHEMBL3750604 0.77 APEX1 (0.35) APEX1IMPDH2
SCHEMBL13079414 0.77 ALDH1A1 (0.35) IMPDH2

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 1/4885AKR1C3 933/4885MAPT 2625/4885

“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.