SCHEMBL3750604

SCHEMBL3750604

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.35
ALDH1A1 P00352 1/20 0.32
IMPDH2 P12268 3/20 0.31
TBXAS1 P24557 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3750607 1.00 APEX1 (0.35) APEX1ALDH1A1IMPDH2TBXAS1PSEN1
SCHEMBL3746161 0.87 APEX1 (0.43) APEX1IMPDH2
SCHEMBL3746158 0.87 APEX1 (0.43) APEX1IMPDH2
SCHEMBL3751383 0.84 APEX1 (0.53) APEX1IMPDH2PSEN1
SCHEMBL3751380 0.84 APEX1 (0.53) APEX1IMPDH2PSEN1
SCHEMBL13080192 0.84 MEN1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL3750465 0.83 APEX1 (0.52) APEX1IMPDH2
SCHEMBL3750461 0.83 APEX1 (0.52) APEX1IMPDH2
SCHEMBL13080082 0.82 KDM4E (0.39) APEX1ALDH1A1TBXAS1PSEN1PSEN2
SCHEMBL13080070 0.82 KDM4E (0.39) APEX1ALDH1A1TBXAS1PSEN1PSEN2

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 1/4885ALDH1A1 210/4885IMPDH2 568/4885

“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.