SCHEMBL2012707

SCHEMBL2012707

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
DGKA P23743 1/20 0.44
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 2/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 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 0.98 DGKA (0.47) CYP1A2DGKATSHRALDH1A1CYP3A4
SCHEMBL2012551 0.98 DGKA (0.47) CYP1A2DGKATSHRALDH1A1CYP3A4
SCHEMBL2011975 0.98 DGKA (0.47) CYP1A2DGKATSHRALDH1A1CYP3A4
SCHEMBL2015422 0.98 DGKA (0.47) CYP1A2DGKATSHRALDH1A1CYP3A4
SCHEMBL2014850 0.98 DGKA (0.47) CYP1A2DGKATSHRALDH1A1CYP3A4
SCHEMBL2012721 0.98 DGKA (0.47) CYP1A2DGKATSHRALDH1A1CYP3A4
SCHEMBL2010912 0.95 CYP1A2 (0.50) CYP1A2DGKATSHRALDH1A1CYP3A4
SCHEMBL2011000 0.87 CYP1A2 (0.44) CYP1A2DGKATSHRALDH1A1HSD17B10
SCHEMBL10063280 0.85 CA12 (0.44) DGKAALDH1A1TDP1PTGS2CA12
SCHEMBL875801 0.84 DGKA (0.52) DGKATSHRALDH1A1TDP1PTGS2

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10154981-B2 Use of a feed composition for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2018-12-18 US claimed
EP-3041365-B1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2018-04-04 EP claimed
EP-3041365-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2016-07-13 EP claimed
US-20160183564-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RUMINANTS, AND OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2016-06-30 US claimed
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 claimed
CN-103561586-B Fodder compound is for reducing the discharge of methane of ruminant and/or improving the purposes that ruminant shows DSM IP ASSETS B.V. (NL) 2016-05-04 CN claimed
CN-105472995-A Use of feed composition for reducing methane emission in ru-minants, and/or to improve ruminant performance DSM IP ASSETS BV 2016-04-06 CN claimed
WO-2015018726-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2015-02-12 WO claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
US-20240189408-A1 COMPOSITIONS AND METHODS FOR REDUCING METHANE EMISSIONS IN RUMINANT POPULATIONS Arkea Bio Corp. 2024-06-13 US disclosed
WO-2024121139-A1 REDUCING METHANE EMISSIONS OF A FLOODED FIELD BASF SE (DE) 2024-06-13 WO disclosed
WO-2024015366-A1 COMPOSITIONS AND METHODS FOR REDUCING METHANE EMISSIONS IN RUMINANT POPULATIONS Arkea Bio Corp. (US) 2024-01-18 WO disclosed
WO-2012160191-A2 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-11-29 WO 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
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 (4 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 CYP1A2 147/4885DGKA 3780/4885TSHR 630/4885
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 CYP1A2 147/4885DGKA 3780/4885TSHR 630/4885
US-10154981-B2 Use of a feed composition for reducing methane emission in ruminants, and/or to improve ruminant performance OAT, MRM1, ETFA CYP1A2 93/4885DGKA 4032/4885TSHR 2374/4885
US-20240189408-A1 COMPOSITIONS AND METHODS FOR REDUCING METHANE EMISSIONS IN RUMINANT POPULATIONS MT-CO2, CYB5R3, COX5A CYP1A2 400/4885DGKA 1229/4885TSHR 4051/4885

“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.