SCHEMBL2014850

SCHEMBL2014850

CCOC(=O)CCCCCCO[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.42
DNM1 Q05193 1/20 0.40
USP2 O75604 1/20 0.40
PAM P19021 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.39
EPHX2 P34913 2/20 0.39

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
SCHEMBL2014494 1.00 DGKA (0.47) DGKACYP1A2ALDH1A1TDP1TSHR
SCHEMBL2011975 1.00 DGKA (0.47) DGKACYP1A2ALDH1A1TDP1TSHR
SCHEMBL2012551 1.00 DGKA (0.47) DGKACYP1A2ALDH1A1TDP1TSHR
SCHEMBL2012721 1.00 DGKA (0.47) DGKACYP1A2ALDH1A1TDP1TSHR
SCHEMBL2015422 1.00 DGKA (0.47) DGKACYP1A2ALDH1A1TDP1TSHR
SCHEMBL2012707 0.98 CYP1A2 (0.48) DGKACYP1A2ALDH1A1TDP1TSHR
SCHEMBL2010912 0.93 CYP1A2 (0.50) DGKACYP1A2ALDH1A1TDP1TSHR
SCHEMBL2011000 0.85 CYP1A2 (0.44) DGKACYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL10063280 0.84 CA12 (0.44) DGKAALDH1A1TDP1DNM1
SCHEMBL22615113 0.83 DGKA (0.62) DGKAALDH1A1TDP1TSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2911656-B1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2020-12-02 EP disclosed
US-9446015-B2 Quinone based nitric oxide donating compounds for ophthalmic use NICOX SCIENCE IRELAND (IE) 2016-09-20 US disclosed
US-9365489-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2016-06-14 US disclosed
US-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2015-10-08 US disclosed
EP-2911656-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE Nicox Science Ireland (IE) 2015-09-02 EP disclosed
US-9079821-B2 Quinone based nitric oxide donating compounds NICOX SCIENCE IRELAND (IE) 2015-07-14 US disclosed
US-9061962-B2 Quinone based nitric oxide donating compounds NICOX SCIENCE IRELAND (IE) 2015-06-23 US disclosed
EP-2707354-B1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX SCIENCE IRELAND (IE) 2015-04-29 EP disclosed
US-20140342998-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX S.A. (FR) 2014-11-20 US disclosed
US-8784871-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2014-07-22 US disclosed
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-15 US disclosed
US-20140135389-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX SA (FR) 2014-05-15 US disclosed
WO-2014063923-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX S.A. (FR) 2014-05-01 WO disclosed
EP-2722326-A1 Quinone based nitric oxide donating compounds NICOX S.A. (FR) 2014-04-23 EP disclosed
EP-2707354-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS Nicox S.A. (FR) 2014-03-19 EP disclosed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP disclosed
WO-2013060673-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX S.A. (FR) 2013-05-02 WO disclosed
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-12-13 US disclosed
EP-2509435-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2012-10-17 EP disclosed
WO-2011070133-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2011-06-16 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 (5 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-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 DGKA 3780/4885CYP1A2 147/4885ALDH1A1 2126/4885
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 DGKA 3780/4885CYP1A2 147/4885ALDH1A1 2126/4885
US-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NOS1, NOS3, NOS2 DGKA 1313/4885CYP1A2 346/4885ALDH1A1 265/4885
US-20140135389-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NOS2, NQO1, NOS1 DGKA 2299/4885CYP1A2 321/4885ALDH1A1 339/4885
US-20140342998-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NOS2, NQO1, NOS1 DGKA 2299/4885CYP1A2 321/4885ALDH1A1 339/4885

“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.