SCHEMBL3671408

SCHEMBL3671408

CCCCCCCCCC(=CC1=C(C)C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 13/20 0.69
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
SOAT1 P35610 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAP2K7 O14733 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL3671407 1.00 APEX1 (0.69) APEX1TDP1LMNASOAT1CES2
SCHEMBL3755601 0.95 APEX1 (0.70) APEX1MAP2K7CDC25ACDC25B
SCHEMBL3755606 0.95 APEX1 (0.70) APEX1MAP2K7CDC25ACDC25B
SCHEMBL13894582 0.84 APEX1 (0.74) APEX1TDP1LMNAMAP2K7CDC25A
SCHEMBL17689291 0.84 APEX1 (0.75) APEX1TDP1
SCHEMBL15711357 0.83 APEX1 (0.55) APEX1TDP1LMNAMAP2K7CDC25A
Apx-3330 SCHEMBL3758716 0.82 APEX1 (1.00) APEX1TDP1LMNA
Apx-3330 SCHEMBL3758719 0.82 APEX1 (1.00) APEX1TDP1LMNA
SCHEMBL15711188 0.81 APEX1 (0.53) APEX1MAP2K7CDC25ACDC25B
SCHEMBL14135165 0.81 APEX1 (0.53) APEX1TDP1LMNAMAP2K7CDC25A

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 1/4885TDP1 118/4885LMNA 4347/4885

“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.