SCHEMBL4047487

SCHEMBL4047487

CC(C)(C)OC(=O)NCCOC(=O)c1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.50
CA2 P00918 9/20 0.50
CA12 O43570 7/20 0.50
CA9 Q16790 7/20 0.50
CA4 P22748 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
IDO1 P14902 2/20 0.46
SYK P43405 1/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
EGFR P00533 1/20 0.39
TMEM97 Q5BJF2 2/20 0.38

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
SCHEMBL13525150 0.81 CA12 (0.56) CA1CA2CA12CA9CA4
SCHEMBL3306193 0.80 ALDH1A1 (0.50) CA1CA2CA12CA9CA4
SCHEMBL18647502 0.79 IDO1 (0.51) CA1CA2CA12CA9MEN1
SCHEMBL18647501 0.78 IDO1 (0.50) CA1CA2CA12CA9MEN1
SCHEMBL20759346 0.78 IDO1 (0.50) CA1CA2CA12CA9MEN1
SCHEMBL8457758 0.78 IDO1 (0.62) CA1CA2CA12CA9IDO1
SCHEMBL18647826 0.77 IDO1 (0.49) CA1CA2CA12CA9MEN1
SCHEMBL4047490 0.76 CA12 (0.54) CA1CA2CA12CA9CA4
SCHEMBL26385412 0.76 IDO1 (0.48) CA1CA2CA12CA9MEN1
SCHEMBL3307021 0.75 DPP8 (0.49) CA1CA2CA12CA9CA4

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 CA1 4310/4885CA2 2054/4885CA12 3887/4885

“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.