SCHEMBL2011778

SCHEMBL2011778

CCOC(=O)C1CCCCC1O[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 7/20 0.49
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.36
BCHE P06276 3/20 0.36
CA2 P00918 2/20 0.36
CTSB P07858 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FKBP1A P62942 1/20 0.35

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
SCHEMBL2010811 0.82 GSR (0.53) GSRALDH1A1BCHECA2
SCHEMBL9482769 0.78 ALDH1A1 (0.41) ALDH1A1MAPTCA2TP53CYP3A4
SCHEMBL3825711 0.78 ALDH1A1 (0.41) ALDH1A1MAPTTP53CYP3A4FKBP1A
SCHEMBL17674156 0.78 ALDH1A1 (0.39) ALDH1A1MAPTCTSBTP53CYP3A4
SCHEMBL234644 0.77 TP53 (0.53) ALDH1A1MAPTTP53CYP3A4FKBP1A
SCHEMBL28405577 0.77 TP53 (0.53) ALDH1A1MAPTTP53CYP3A4FKBP1A
SCHEMBL6900183 0.77 TP53 (0.53) ALDH1A1MAPTTP53CYP3A4FKBP1A
SCHEMBL13011542 0.77 TP53 (0.53) ALDH1A1MAPTTP53CYP3A4FKBP1A
SCHEMBL2010307 0.76 GSR (0.58) GSRALDH1A1MAPTBCHECA2
SCHEMBL1170182 0.75 TP53 (0.52) ALDH1A1MAPTTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 (2 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 GSR 85/4885ALDH1A1 2126/4885MAPT 3348/4885
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 GSR 85/4885ALDH1A1 2126/4885MAPT 3348/4885

“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.