SCHEMBL9952503

SCHEMBL9952503

CCC(CC(=O)O)O[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSR P00390 1/20 0.33
CYP1A2 P05177 3/20 0.33
MAPK1 P28482 4/20 0.32
MEN1 O00255 3/20 0.32
BLM P54132 3/20 0.32
KMT2A Q03164 3/20 0.32
GMNN O75496 3/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
HIF1A Q16665 2/20 0.32
HSP90AA1 P07900 2/20 0.32
NR1H4 Q96RI1 2/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
HBB P68871 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL2014464 0.85 GPR84 (0.35) LMNASMN1; SMN2CYP1A2MAPK1MEN1
SCHEMBL2013997 0.81 MEN1 (0.38) LMNAGSRCYP1A2MEN1BLM
SCHEMBL8277389 0.80
SCHEMBL7663032 0.80 GSR (0.33) LMNASMN1; SMN2GSRCYP1A2MEN1
SCHEMBL12754382 0.78 AKR1B1 (0.36) LMNAMEN1BLMKMT2AHIF1A
SCHEMBL10104155 0.78 AKR1B1 (0.36) LMNAMEN1BLMKMT2AHIF1A
SCHEMBL10119574 0.78 AKR1B1 (0.36) LMNAMEN1BLMKMT2AHIF1A
SCHEMBL25620921 0.77
SCHEMBL2012234 0.75 PTGS1 (0.38) LMNASMN1; SMN2GSRCYP1A2MEN1
SCHEMBL14060689 0.73 GSR (0.34) GSRALDH1A1

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
EP-2654455-B1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS DSM IP ASSETS BV (NL) 2018-10-24 EP disclosed
US-9902685-B2 Use of nitrooxy organic molecules in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2018-02-27 US disclosed
US-9266814-B2 Use of nitrooxy organic molecules in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2016-02-23 US disclosed
US-20150376113-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2015-12-31 US disclosed
US-20140147529-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-29 US disclosed
EP-2654455-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2013-10-30 EP disclosed
WO-2012084629-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-06-28 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-20140147529-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE MLNR, PIGS, MTR LMNA 2045/4885SMN1; SMN2 2817/4885GSR 21/4885
US-20150376113-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE MLNR, PIGS, MTR LMNA 2045/4885SMN1; SMN2 2817/4885GSR 21/4885

“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.