SCHEMBL21147718

SCHEMBL21147718

CNC1CC(C)(C)N(OCOC2CC(C)(C)N(O)C(C)(C)C2)C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL2875979 0.77 GAA (0.44) KDM4EGAAKMT2A
SCHEMBL10135284 0.73 GAA (0.39) GAAKMT2A
SCHEMBL13227474 0.72 GAA (0.38) GAA
SCHEMBL19937345 0.71 GAA (0.32) KDM4EGAAKMT2A
SCHEMBL15672481 0.69 GAA (0.41) GAA
SCHEMBL12430323 0.69
SCHEMBL13227475 0.69 GAA (0.35) GAA
SCHEMBL13360029 0.69
SCHEMBL13554331 0.68 GAA (0.34) GAAKMT2A
SCHEMBL1150231 0.68 GAA (0.40) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-07-11 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-20190210969-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS HSPE1, HSPA9, HSPD1 KDM4E 4100/4885GAA 1905/4885KMT2A 4317/4885

“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.