SCHEMBL4055080

SCHEMBL4055080

CC(C)(C)OC(=O)NCCOC(=O)CCCCCO[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 7/20 0.45
TDP1 Q9NUW8 1/20 0.43
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 2/20 0.39
DGKA P23743 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3303105 0.95 TDP1 (0.42) CA12CA1CA2CA9TDP1
SCHEMBL6518816 0.90 TDP1 (0.45) CA12CA1CA2CA9TDP1
SCHEMBL4048708 0.86 CA12 (0.49) CA12CA1CA2CA9TDP1
SCHEMBL3312327 0.83 CA12 (0.45) CA12CA1CA2CA9TDP1
SCHEMBL20381100 0.82 TDP1 (0.54) CA12CA1CA2CA9TDP1
SCHEMBL28133475 0.82 TDP1 (0.53) CA12CA1CA2CA9TDP1
SCHEMBL5267079 0.81 DGKA (0.57) CA12CA1CA2CA9TDP1
SCHEMBL13397115 0.81 CA1 (0.35) CA12CA1CA2CA9MEN1
SCHEMBL17369727 0.79 ESR2 (0.37) CA12CA1CA2CA9
SCHEMBL15015919 0.78 TDP1 (0.61) CA12CA1CA2CA9TDP1

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-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 US disclosed
EP-2061751-A1 NITRATE ESTERS OF AMINOALCOHOLS Novartis Ag (CH) 2009-05-27 EP disclosed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 WO 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-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 CA12 3887/4885CA1 4310/4885CA2 2054/4885

“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.