SCHEMBL12374845

SCHEMBL12374845

CC(C)COCC(C)O[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL12374851 0.82 ALDH1A1 (0.33) PTGS2PTGS1ALDH1A1
SCHEMBL12753887 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1244882 0.77 ALDH1A1 (0.37) PTGS2PTGS1ALDH1A1
SCHEMBL3293937 0.77
SCHEMBL1244609 0.77 ALDH1A1 (0.37) PTGS2PTGS1ALDH1A1
SCHEMBL989882 0.77 ALDH1A1 (0.37) PTGS2PTGS1ALDH1A1
SCHEMBL18244468 0.77 PTGS2 (0.46) PTGS2PTGS1ALDH1A1
SCHEMBL12374867 0.77 CPA1 (0.39) PTGS2PTGS1
SCHEMBL12753941 0.77 CPA1 (0.39) PTGS2PTGS1
SCHEMBL12753943 0.77 CPA1 (0.39) PTGS2PTGS1

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-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 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-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 PTGS2 105/4885PTGS1 56/4885ALDH1A1 822/4885

“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.