SCHEMBL2507620

SCHEMBL2507620

CCCCC[C@@H]1O[C@@H]1C/C=C\CCCCCCCC(=O)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
PPARG P37231 5/20 0.64
PPARD Q03181 5/20 0.64
PPARA Q07869 5/20 0.64
F7 P08709 5/20 0.64
F3 P13726 5/20 0.64
TERT O14746 3/20 0.64
PTPN1 P18031 3/20 0.64
HSD17B10 Q99714 3/20 0.64
FABP4 P15090 3/20 0.64
BLM P54132 2/20 0.64
LMNA P02545 2/20 0.64
ALOX15 P16050 2/20 0.64
DUSP3 P51452 2/20 0.64
CYP19A1 P11511 2/20 0.64
PTGS1 P23219 2/20 0.64
NR4A2 P43354 2/20 0.64
SIRT6 Q8N6T7 2/20 0.64
PTPN7 P35236 2/20 0.64
TDP1 Q9NUW8 2/20 0.64

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
SCHEMBL15287028 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL15808604 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL1593964 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL3679458 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL2228907 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL2566928 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL3507735 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL55116 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL2228910 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7
SCHEMBL267874 1.00 MAPT (0.75) MAPTPPARGPPARDPPARAF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116712444-A Active ingredient group for treating UC and key target combination thereof 中药创新研发中心有限公司 2023-09-08 CN disclosed
US-20200200775-A1 OXIDIZED LIPIDS AS BIOMARKERS FOR NEUROPATHIC PAIN Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-06-25 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-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-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 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
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 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-10100317-B2 Compositions of matter that reduce pain, shock, and inflammation by blocking linoleic acid metabolites and uses thereof FABP1, HSPBP1, LTA MAPT 1136/4885PPARG 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 MAPT 1136/4885PPARG 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 MAPT 1136/4885PPARG 312/4885PPARD 547/4885
US-20160045610-A1 COMPOSITIONS OF MATTER THAT REDUCE PAIN, SHOCK, AND INFLAMMATION BY BLOCKING LINOLEIC ACID METABOLITES AND USES THEREOF FABP1, HSPBP1, LTA MAPT 1136/4885PPARG 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.