SCHEMBL2128309

SCHEMBL2128309

CCCCCCCCC1=C(CCCCCCCC(=O)O)O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.65
PPARG P37231 7/20 0.65
PPARD Q03181 7/20 0.65
PPARA Q07869 7/20 0.65
HDAC11 Q96DB2 5/20 0.65
TSHR P16473 4/20 0.65
PTPN1 P18031 3/20 0.65
ALDH1A1 P00352 2/20 0.65
TLR2 O60603 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
FABP4 P15090 2/20 0.65
KMT2A Q03164 2/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
SLC22A8 Q8TCC7 1/20 0.65
MEN1 O00255 1/20 0.65
ESR1 P03372 1/20 0.65
ALOX15 P16050 1/20 0.65
PDE4A P27815 1/20 0.65
PDE3A Q14432 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL10403682 0.82 GPR84 (0.74) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25290273 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL23705769 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL25291231 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL25286532 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL23649545 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Dotriacontanoic Acid SCHEMBL25298401 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Lignoceric Acid SCHEMBL23751106 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL23781711 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL25293218 0.81 GPR84 (1.00) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125337-B2 Branched diesters and methods of making and using the same TRENT UNIVERSITY (CA) 2018-11-13 US disclosed
US-10100317-B2 Compositions of matter that reduce pain, shock, and inflammation by blocking linoleic acid metabolites and uses thereof BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-16 US disclosed
US-20170204415-A1 Compositions of Matter that Reduce Pain, Shock, and Inflammation by Blocking Linoleic Acid Metabolites and Uses Thereof UNIV TEXAS (US) 2017-07-20 US disclosed
US-20170137739-A1 BRANCHED DIESTERS AND METHODS OF MAKING AND USING THE SAME TRENT UNIVERSITY (CA) 2017-05-18 US disclosed
US-9592301-B2 Compositions of matter that reduce pain, shock, and inflammation by blocking linoleic acid metabolites and uses thereof UNIV TEXAS (US) 2017-03-14 US disclosed
US-20160045610-A1 COMPOSITIONS OF MATTER THAT REDUCE PAIN, SHOCK, AND INFLAMMATION BY BLOCKING LINOLEIC ACID METABOLITES AND USES THEREOF UNIV TEXAS (US) 2016-02-18 US disclosed
US-9029342-B2 Compositions of matter that reduce pain, shock, and inflammation by blocking linoleic acid metabolites and uses thereof BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-12 US disclosed
US-20140128588-A1 COMPOSITIONS OF MATTER THAT REDUCE PAIN, SHOCK, AND INFLAMMATION BY BLOCKING LINOLEIC ACID METABOLITES AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-08 US disclosed
WO-2013123393-A1 BIOBASED SEMI-SOLID LUBRICANT AND METHOD OF PREPARATION KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-08-22 WO disclosed
EP-2444388-A1 Asymmetric esters of fatty acids useful as lubricants Industrial Quimica Lasem, S.A. (ES) 2012-04-25 EP disclosed
WO-2002066654-A2 DRUG METABOLIZING ENZYMES INCYTE GENOMICS, INC. (US) 2002-08-29 WO disclosed
WO-2002026988-A9 HUMAN DRUG METABOLIZING ENZYMES INCYTE GENOMICS INC (US) 2002-07-04 WO disclosed
WO-2002046426-A2 POLYPEPTIDE SEQUENCES OF DRUG METABOLIZING ENZYMES AND POLYNUCLEOTIDE SEQUENCES CODING THEREFOR INCYTE GENOMICS, INC. (US) 2002-06-13 WO disclosed
WO-2002026988-A2 HUMAN DRUG METABOLIZING ENZYMES INCYTE GENOMICS, INC. (US) 2002-04-04 WO disclosed
WO-2002012467-A2 DRUG METABOLIZING ENZYMES INCYTE GENOMICS, INC. (US) 2002-02-14 WO disclosed
WO-2002004612-A2 DRUG METABOLIZING ENZYMES INCYTE GENOMICS, INC. (US) 2002-01-17 WO disclosed
WO-2001090334-A2 DRUG METABOLIZING ENZYMES INCYTE GENOMICS, INC. (US) 2001-11-29 WO disclosed
WO-2001079468-A2 DRUG METABOLIZING ENZYMES INCYTE GENOMICS, INC. (US) 2001-10-25 WO disclosed
WO-2001059127-A2 DRUG METABOLIZING ENZYMES INCYTE GENOMICS, INC. (US) 2001-08-16 WO disclosed
WO-2001051638-A2 DRUG METABOLIZING ENZYMES INCYTE GENOMICS, INC. (US) 2001-07-19 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-10100317-B2 Compositions of matter that reduce pain, shock, and inflammation by blocking linoleic acid metabolites and uses thereof FABP1, HSPBP1, LTA GPR84 545/4885PPARG 312/4885PPARD 547/4885
US-20170204415-A1 Compositions of Matter that Reduce Pain, Shock, and Inflammation by Blocking Linoleic Acid Metabolites and Uses Thereof FABP1, HSPBP1, LTA GPR84 545/4885PPARG 312/4885PPARD 547/4885
US-20140128588-A1 COMPOSITIONS OF MATTER THAT REDUCE PAIN, SHOCK, AND INFLAMMATION BY BLOCKING LINOLEIC ACID METABOLITES AND USES THEREOF FABP1, HSPBP1, LTA GPR84 545/4885PPARG 312/4885PPARD 547/4885
US-10125337-B2 Branched diesters and methods of making and using the same DGKG, SQLE, DGAT2 GPR84 581/4885PPARG 145/4885PPARD 311/4885
US-20170137739-A1 BRANCHED DIESTERS AND METHODS OF MAKING AND USING THE SAME ELOVL3, SCD, PTGER3 GPR84 1391/4885PPARG 133/4885PPARD 231/4885
US-20160045610-A1 COMPOSITIONS OF MATTER THAT REDUCE PAIN, SHOCK, AND INFLAMMATION BY BLOCKING LINOLEIC ACID METABOLITES AND USES THEREOF FABP1, HSPBP1, LTA GPR84 545/4885PPARG 312/4885PPARD 547/4885

“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.