SCHEMBL2875889

SCHEMBL2875889

O=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
PPARG P37231 7/20 0.53
PPARD Q03181 6/20 0.53
PPARA Q07869 6/20 0.53
CYP19A1 P11511 5/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 4/20 0.53
ALOX15 P16050 4/20 0.53
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP3A4 P08684 3/20 0.53
HPGD P15428 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
RECQL P46063 3/20 0.53
BLM P54132 3/20 0.53
MEN1 O00255 2/20 0.53
FABP4 P15090 2/20 0.53
NR4A2 P43354 2/20 0.53

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
SCHEMBL2873060 0.97 ALDH1A1 (0.55) ALDH1A1PPARGPPARDPPARACYP19A1
SCHEMBL31076236 0.89 ALDH1A1 (0.46) ALDH1A1PPARGPPARDPPARACYP19A1
SCHEMBL2011462 0.82 ALDH1A1 (0.52) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL2010277 0.82 ALDH1A1 (0.52) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL2011728 0.82 ALDH1A1 (0.52) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL2011072 0.82 ALDH1A1 (0.52) ALDH1A1PPARGPPARDPPARALMNA
SCHEMBL17645156 0.82 MEN1 (0.61) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL17645154 0.82 MEN1 (0.61) ALDH1A1MAPTHPGDKMT2AMEN1
Methane SCHEMBL2009500 0.80 ALDH1A1 (0.50) ALDH1A1PPARGPPARDPPARALMNA
Methane SCHEMBL2012154 0.80 ALDH1A1 (0.50) ALDH1A1PPARGPPARDPPARALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867795-B2 Nitrated lipids and methods of making and using thereof THE UAB RESEARCH FOUNDATION (US) 2018-01-16 US disclosed
US-20170119717-A1 NITRATED LIPIDS AND METHODS OF MAKING AND USING THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2017-05-04 US disclosed
US-9522156-B2 Nitrated lipids and methods of making and using thereof THE UAB RESEARCH FOUNDATION (US) 2016-12-20 US disclosed
US-20160151391-A1 NITRATED LIPIDS AND METHODS OF MAKING AND USING THEREOF THE UAB RESEARCH FOUNDATION 2016-06-02 US disclosed
US-9295678-B2 Nitrated lipids and methods of making and using thereof THE UAB RESEARCH FOUNDATION (US) 2016-03-29 US disclosed
US-20150246059-A1 NITRATED LIPIDS AND METHODS OF MAKING AND USING THEREOF THE UAB RESEARCH FOUNDATION 2015-09-03 US disclosed
US-9006473-B2 Nitrated lipids and methods of making and using thereof THE UAB RESEARCH FOUNDATION (US) 2015-04-14 US disclosed
US-20130210917-A1 Nitrated Lipids and Methods of Making and Using Thereof THE UAB RESEARCH FOUNDATION (US) 2013-08-15 US disclosed
US-8309526-B2 Nitrated lipids and methods of making and using thereof THE UAB RESEARCH FOUNDATION (US) 2012-11-13 US disclosed
US-20100331268-A1 Nitrated Lipids and Methods of Making and Using Thereof THE UAB RESEARCH FOUNDATION (US) 2010-12-30 US disclosed
US-7776916-B2 Nitrated lipids and methods of making and using thereof THE UAB RESEARCH FOUNDATION (US) 2010-08-17 US disclosed
US-20070232579-A1 Nitrated Lipids and Methods of Making and Using Thereof UAB RESEARCH FOUNDATION, THE (US) 2007-10-04 US disclosed
WO-2005110396-A2 NITRATED LIPIDS AND METHODS OF MAKING AND USING THEREOF UAB RESEARCH FOUNDATION (US) 2005-11-24 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 (6 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-20130210917-A1 Nitrated Lipids and Methods of Making and Using Thereof FASN, NOS2, LIPA ALDH1A1 884/4885PPARG 923/4885PPARD 775/4885
US-20150246059-A1 NITRATED LIPIDS AND METHODS OF MAKING AND USING THEREOF FASN, NOS2, LIPA ALDH1A1 884/4885PPARG 923/4885PPARD 775/4885
US-20070232579-A1 Nitrated Lipids and Methods of Making and Using Thereof FASN, NOS2, LIPA ALDH1A1 884/4885PPARG 923/4885PPARD 775/4885
US-20170119717-A1 NITRATED LIPIDS AND METHODS OF MAKING AND USING THEREOF FASN, NOS2, LIPA ALDH1A1 884/4885PPARG 923/4885PPARD 775/4885
US-20160151391-A1 NITRATED LIPIDS AND METHODS OF MAKING AND USING THEREOF FASN, NOS2, LIPA ALDH1A1 884/4885PPARG 923/4885PPARD 775/4885
US-20100331268-A1 Nitrated Lipids and Methods of Making and Using Thereof FASN, NOS2, LIPA ALDH1A1 884/4885PPARG 923/4885PPARD 775/4885

“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.