SCHEMBL3330237

SCHEMBL3330237

CCCC(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.44
PTGS2 P35354 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA9 Q16790 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
FAAH O00519 1/20 0.38
DNM1 Q05193 1/20 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
SCHEMBL875801 0.91 DGKA (0.52) NAAADGKAHTR2CPTGS2CA12
SCHEMBL14697023 0.89 CA12 (0.46) NAAADGKAHTR2CPTGS2CA12
SCHEMBL29293359 0.88 DGKA (0.47) NAAADGKAHTR2CPTGS2CA12
SCHEMBL9951891 0.86 DGKA (0.59) NAAADGKAHTR2CALDH1A1TDP1
SCHEMBL10063280 0.85 CA12 (0.44) DGKAPTGS2CA12CA1CA2
SCHEMBL23036025 0.85 CA12 (0.43) DGKAHTR2CPTGS2CA12CA1
SCHEMBL22615111 0.85 DGKA (0.62) NAAADGKAHTR2CALDH1A1TDP1
SCHEMBL22615105 0.85 DGKA (0.62) NAAADGKAHTR2CALDH1A1TDP1
SCHEMBL22615113 0.85 DGKA (0.62) NAAADGKAHTR2CALDH1A1TDP1
SCHEMBL421653 0.82 NAAA (0.60) NAAADGKAHTR2CALDH1A1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137599-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONITRATE NICOX S.A. (FR) 2010-06-03 US claimed
EP-2170803-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE Nicox S.A. (FR) 2010-04-07 EP claimed
WO-2009000723-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE NICOX S.A. (FR) 2008-12-31 WO claimed
EP-3021870-B1 OPHTHALMIC COMPOSITIONS CONTAINING A NITRIC OXIDE DONOR NICOX SCIENCE IRELAND LTD (IE) 2018-02-21 EP disclosed
US-9895335-B2 Ophthalmic compositions containing a nitric oxide donor NICOX SCIENCE IRELAND (IE) 2018-02-20 US disclosed
US-20160158182-A1 OPHTHALMIC COMPOSITIONS CONTAINING A NITRIC OXIDE DONOR NICOX SA (FR) 2016-06-09 US disclosed
EP-3021870-A1 OPHTHALMIC COMPOSITIONS CONTAINING A NITRIC OXIDE DONOR Nicox Science Ireland (IE) 2016-05-25 EP disclosed
WO-2015007552-A1 OPHTHALMIC COMPOSITIONS CONTAINING A NITRIC OXIDE DONOR NICOX SCIENCE IRELAND (IE) 2015-01-22 WO disclosed
EP-2826491-A1 Ophthalmic compositions containing a nitric oxide donor Nicox Science Ireland (IE) 2015-01-21 EP disclosed
US-20100137599-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONITRATE NICOX S.A. (FR) 2010-06-03 US disclosed
EP-2170803-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE Nicox S.A. (FR) 2010-04-07 EP disclosed
WO-2009000723-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE NICOX S.A. (FR) 2008-12-31 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-20100137599-A1 PROCESS FOR PREPARING 1,4-BUTANDIOL MONITRATE CYP11B1, CYP11B2, HSD17B7 NAAA 2575/4885DGKA 2881/4885HTR2C 2870/4885

“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.