SCHEMBL17277149

SCHEMBL17277149

CCCCCCCCCC(=CC1=C(C)C(=O)C(C)=C(C)C1=O)C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 5/20 0.44

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
SCHEMBL17689294 0.93 APEX1 (0.45) APEX1
SCHEMBL17277629 0.90 APEX1 (0.59) APEX1
SCHEMBL17834007 0.90 APEX1 (0.59) APEX1
SCHEMBL17689293 0.79 APEX1 (0.55) APEX1
SCHEMBL17277148 0.75 APEX1 (0.57) APEX1
SCHEMBL17689291 0.73 APEX1 (0.75) APEX1
SCHEMBL23234144 0.71 EPHX2 (0.41)
SCHEMBL198354 0.71 EPHX2 (0.41)
SCHEMBL61278 0.71 EPHX2 (0.41)
SCHEMBL23016820 0.71 EPHX2 (0.41)

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
US-20180133175-A1 QUINONE COMPOUNDS FOR TREATING APE1 MEDIATED DISEASES APEXIAN PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-9877936-B2 Quinone compounds for treating Ape1 mediated diseases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-01-30 US disclosed
US-9315481-B2 Compounds and methods for treating leukemia INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-04-19 US disclosed
US-20160045461-A1 QUINONE COMPOUNDS FOR TREATING APE1 MEDIATED DISEASES APEXIAN PHARMACEUTICALS, INC. 2016-02-18 US disclosed
US-9193700-B2 Quinone compounds for treating Ape1 mediated diseases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-11-24 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 (2 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-20160045461-A1 QUINONE COMPOUNDS FOR TREATING APE1 MEDIATED DISEASES NQO1, APEX1, KEAP1 APEX1 2/4885
US-20180133175-A1 QUINONE COMPOUNDS FOR TREATING APE1 MEDIATED DISEASES NQO1, APEX1, KEAP1 APEX1 2/4885

“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.