SCHEMBL3777467

SCHEMBL3777467

CCCCCOCCCCCCO[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CES2 O00748 2/20 0.44
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
RECQL P46063 2/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8957496 1.00 MEN1 (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL11058152 0.94 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL11058834 0.94 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL11057233 0.94 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL9542975 0.94 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA12
SCHEMBL11228544 0.94 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA12
SCHEMBL11232260 0.94 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA12
SCHEMBL1774885 0.94 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA12
SCHEMBL36624 0.94 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA12
SCHEMBL273330 0.94 ALDH1A1 (0.50) ALDH1A1CA1CA2CA9CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100312003-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES LONZA LTD. (CH) 2010-12-09 US disclosed
EP-2200966-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES LONZA LTD. (CH) 2010-06-30 EP disclosed
WO-2009046992-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES LONZA LTD (CH) 2009-04-16 WO disclosed
EP-2048129-A1 Method for the preparation of organic nitrates LONZA AG (CH) 2009-04-15 EP 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-20100312003-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES NOS2, NOS1, NOS3 MEN1 3329/4885THRB 3083/4885HTT 617/4885

“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.