SCHEMBL4046983

SCHEMBL4046983

CC(OC(=O)OCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)O[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.38
HSD11B1 P28845 6/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 1/20 0.37
DRD2 P14416 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NAMPT P43490 1/20 0.36
EPHX2 P34913 1/20 0.35
KCNA3 P22001 1/20 0.35
PARP1 P09874 1/20 0.34
NPC1L1 Q9UHC9 1/20 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
SCHEMBL4053255 0.80 CTSK (0.37) CTSKHSD11B1CYP2C9MEN1ALDH1A1
SCHEMBL4048383 0.77 BTK (0.38) CTSKHSD11B1CYP2C9EPHX1DRD2
SCHEMBL4047981 0.77 TSHR (0.41) CTSKHSD11B1CYP2C9MEN1ALDH1A1
SCHEMBL4760751 0.75 CTSK (0.50) CTSKHSD11B1CYP2C9MEN1ALDH1A1
SCHEMBL4953395 0.75 CTSK (0.52) CTSKHSD11B1CYP2C9MEN1ALDH1A1
SCHEMBL17677404 0.74 CA1 (0.52) CTSKHSD11B1CYP2C9MEN1ALDH1A1
SCHEMBL1061986 0.74 CA1 (0.52) CTSKHSD11B1CYP2C9MEN1ALDH1A1
SCHEMBL4056141 0.73 TMEM97 (0.48) CA1CA2NAMPT
SCHEMBL4049967 0.73 TMEM97 (0.45) KMT2ADRD2NAMPTKCNA3PARP1
SCHEMBL1063091 0.72 EPHX1 (0.55) CTSKHSD11B1CYP2C9ALDH1A1EPHX1

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 CTSK 4338/4885HSD11B1 136/4885CYP2C9 639/4885

“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.