SCHEMBL4055086

SCHEMBL4055086

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
P2RY10 O00398 7/20 0.33
GPR34 Q9UPC5 4/20 0.33
GPR174 Q9BXC1 3/20 0.33

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
SCHEMBL3308937 0.95 CA12 (0.32) MAPTLMNAALDH1A1CA12CA1
SCHEMBL4049013 0.85 CA12 (0.37) CA12CA1CA2CA4CA9
SCHEMBL13397061 0.83 P2RY10 (0.43) P2RY10GPR34GPR174
SCHEMBL13397146 0.81 CA12 (0.34) MAPTLMNAALDH1A1CA12CA1
SCHEMBL13397115 0.81 CA1 (0.35) MAPTLMNAALDH1A1CA12CA1
SCHEMBL4055087 0.80 HDAC3 (0.33) MAPTLMNACA12CA1CA2
SCHEMBL16124761 0.80 DGKA (0.39) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL17369727 0.79 ESR2 (0.37) ALDH1A1CA12CA1CA2CA4
SCHEMBL16124756 0.77 MAPT (0.41) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL16124674 0.77 MAPT (0.46) MAPTLMNAALDH1A1KDM4EDUSP3

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 MAPT 4319/4885LMNA 1456/4885ALDH1A1 395/4885

“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.