SCHEMBL1603409

SCHEMBL1603409

CCCCC/C=C/O/C=C/CCCCCCCC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.76
PPARD Q03181 5/20 0.76
PPARA Q07869 5/20 0.76
F7 P08709 5/20 0.76
F3 P13726 5/20 0.76
TERT O14746 3/20 0.76
PTPN1 P18031 3/20 0.76
HSD17B10 Q99714 3/20 0.76
FABP4 P15090 3/20 0.76
TOP1 P11387 3/20 0.76
MAPT P10636 2/20 0.76
BLM P54132 2/20 0.76
LMNA P02545 2/20 0.76
ALOX15 P16050 2/20 0.76
DUSP3 P51452 2/20 0.76
CYP19A1 P11511 2/20 0.76
PTGS1 P23219 2/20 0.76
NR4A2 P43354 2/20 0.76
SIRT6 Q8N6T7 2/20 0.76
PTPN7 P35236 2/20 0.76

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
SCHEMBL1603411 1.00 PPARG (0.76) PPARGPPARDPPARAF7F3
SCHEMBL12653083 1.00 PPARG (0.76) PPARGPPARDPPARAF7F3
Dodecanoate SCHEMBL31098927 1.00 PPARG (0.76) PPARGPPARDPPARAF7F3
SCHEMBL28584636 0.94 FASN (0.78) PPARGPPARDPPARAF7F3
SCHEMBL2369985 0.94 FASN (0.78) PPARGPPARDPPARAF7F3
SCHEMBL1603592 0.90 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL1603594 0.90 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL29377933 0.90 FASN (0.73) PPARGPPARDPPARAF7F3
SCHEMBL1603593 0.90 PPARG (0.78) PPARGPPARDPPARAF7F3
SCHEMBL29839287 0.90 FASN (0.73) PPARGPPARDPPARAF7F3

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-20210331998-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS RETROTOPE, INC. 2021-10-28 US disclosed
EP-3380452-B1 SITE-SPECIFIC ISOTOPIC LABELING OF 1, 4-DIENE SYSTEMS RETROTOPE INC (US) 2021-03-24 EP disclosed
EP-3380452-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1, 4-DIENE SYSTEMS Retrotope, Inc. (US) 2018-10-03 EP disclosed
WO-2017091279-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1, 4-DIENE SYSTEMS RETROTOPE, INC. (US) 2017-06-01 WO disclosed
US-9663444-B2 Heteroatom containing substituted fatty acids COMPLEXA, INC. (US) 2017-05-30 US disclosed
US-20170113999-A9 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. (US) 2017-04-27 US disclosed
WO-2017062992-A1 IMPROVING QUALITY OF MITOCHONDRIAL DNA MEASUREMENTS FOR USE IN ASSESSING MITOCHONDRIAL DYSFUNCTIONS RETROTOPE, INC. (US) 2017-04-13 WO disclosed
US-20140256814-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. (US) 2014-09-11 US disclosed
EP-2701696-A2 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY Retrotope, Inc. (US) 2014-03-05 EP disclosed
WO-2012148927-A2 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY RETROTOPE, INC. (US) 2012-11-01 WO disclosed
EP-2483233-A2 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS Miller, Raymond A. (US) 2012-08-08 EP disclosed
WO-2011041639-A2 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS MILLER RAYMOND A (US) 2011-04-07 WO disclosed
US-20110082206-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS COMPLEXA, INC. 2011-04-07 US 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-20170113999-A9 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 PPARG 14/4885PPARD 39/4885PPARA 15/4885
US-20140256814-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 PPARG 14/4885PPARD 39/4885PPARA 15/4885
US-20210331998-A1 SITE-SPECIFIC ISOTOPIC LABELING OF 1,4-DIENE SYSTEMS FADS1, FASN, FADS2 PPARG 53/4885PPARD 58/4885PPARA 59/4885
US-20110082206-A1 HETEROATOM CONTAINING SUBSTITUTED FATTY ACIDS FFAR2, FFAR1, FFAR4 PPARG 14/4885PPARD 39/4885PPARA 15/4885

“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.