SCHEMBL12374842

SCHEMBL12374842

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.36
PTPN1 P18031 1/20 0.31
TTPA P49638 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
SCHEMBL12753940 1.00 LMNA (0.42) LMNABLMPTPN1TTPA
SCHEMBL12753939 1.00 LMNA (0.42) LMNABLMPTPN1TTPA
SCHEMBL12753905 0.96 LMNA (0.42) LMNABLM
SCHEMBL12374846 0.96 LMNA (0.42) LMNABLM
SCHEMBL12753907 0.96 LMNA (0.42) LMNABLM
SCHEMBL12753910 0.86 CA1 (0.31)
SCHEMBL12753883 0.86 CA1 (0.31)
SCHEMBL12753913 0.86 CA1 (0.31)
SCHEMBL14476657 0.84 PTGS1 (0.33)
SCHEMBL6014859 0.83 ALDH1A1 (0.39)

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 LMNA 4141/4885BLM 4207/4885PTPN1 2171/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 LMNA 2520/4885BLM 3594/4885PTPN1 1950/4885

“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.