SCHEMBL12374867

SCHEMBL12374867

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.39
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
GSR P00390 1/20 0.31
TSHR P16473 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
SCHEMBL12753941 1.00 CPA1 (0.39) CPA1PTGS1PTGS2GSRTSHR
SCHEMBL12753943 1.00 CPA1 (0.39) CPA1PTGS1PTGS2GSRTSHR
SCHEMBL11669919 0.92 PTGS1 (0.33) CPA1PTGS1PTGS2GSRTSHR
SCHEMBL14849944 0.85 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL14607628 0.83 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL14476657 0.81 PTGS1 (0.33) PTGS1PTGS2GSRTSHR
SCHEMBL12753910 0.80 CA1 (0.31) PTGS1PTGS2
SCHEMBL12753883 0.80 CA1 (0.31) PTGS1PTGS2
SCHEMBL12753913 0.80 CA1 (0.31) PTGS1PTGS2
SCHEMBL324234 0.79

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 3 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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 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 (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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT CPA1 919/4885PTGS1 656/4885PTGS2 428/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 CPA1 911/4885PTGS1 56/4885PTGS2 105/4885

“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.