SCHEMBL9970099

SCHEMBL9970099

CCOOOOOOOOOOc1cnc(C)c(C)c1CN

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.44
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LOX P28300 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
SCHEMBL9970102 0.73 AOC3 (0.45) AOC3LMNAKDM4ELOX
SCHEMBL9970103 0.72 AOC3 (0.44) AOC3LMNALOX
SCHEMBL9970109 0.67 LMNA (0.44) AOC3LMNAKDM4ELOX
SCHEMBL9970101 0.64 LMNA (0.50) AOC3LMNAKDM4ELOX
SCHEMBL9970107 0.63 AOC3 (0.39) AOC3LMNAKDM4ELOX
SCHEMBL343169 0.62 AOC3 (1.00) AOC3KDM4ELOX
SCHEMBL9970098 0.61 LMNA (0.71) AOC3LMNAKDM4ELOX
SCHEMBL19969290 0.61 LMNA (0.50) AOC3LMNAKDM4ELOX
SCHEMBL20804156 0.60 LMNA (0.42) AOC3LMNAKDM4E
SCHEMBL19969259 0.60 LMNA (0.49) AOC3LMNAKDM4ELOX

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822542-B2 Isoketal scavengers and mitigation of disorders involving oxidative injury VANDERBILT UNIVERSITY (US) 2014-09-02 US disclosed
US-20120157501-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY VANDERBILT UNIVERSITY 2012-06-21 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-20120157501-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY PDXK, KYNU, FN3K AOC3 501/4885LMNA 2014/4885KDM4E 1534/4885

“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.