SCHEMBL4055087

SCHEMBL4055087

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 2/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
ESR2 Q92731 2/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL4049018 0.85 CA12 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17369727 0.82 ESR2 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4055086 0.80 MAPT (0.35) LMNACA12CA1CA2CA4
SCHEMBL27543617 0.80 LMNA (0.51) LMNAMAPTMAPK1
SCHEMBL3308937 0.74 CA12 (0.32) LMNACA12CA1CA2CA4
SCHEMBL13397090 0.73 P2RY10 (0.37) LMNACA12CA1CA2CA4
SCHEMBL18115167 0.72 EPHX2 (0.38) HDAC8CA12CA1CA2CA9
SCHEMBL4047493 0.71 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL13397115 0.71 CA1 (0.35) LMNACA12CA1CA2CA9
SCHEMBL4055080 0.70 CA12 (0.45) CA12CA1CA2CA9

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 HDAC3 2411/4885HDAC1 2001/4885HDAC2 2797/4885

“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.