SCHEMBL5070082

SCHEMBL5070082

CCC(=O)C(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.37
CES1 P23141 5/20 0.36
CES2 O00748 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR3 O14843 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35

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
SCHEMBL28462712 0.97 FAAH (0.36) FAAHCES1CES2MEN1CYP1A2
SCHEMBL14886372 0.79 FAAH (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL28700622 0.76 CES1 (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7219721 0.73 FFAR3 (0.37) CES1CES2FFAR3TDP1ALDH1A1
SCHEMBL4643993 0.73 OR51E2 (0.40) ALDH1A1
SCHEMBL14438882 0.72 FAAH (0.34) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4999985 0.72 CA2 (0.32) FAAH
SCHEMBL2392558 0.71 CA4 (0.36)
SCHEMBL7947984 0.71 FFAR3 (0.35) CES1CES2FFAR3TDP1ALDH1A1
SCHEMBL4642492 0.71 TSHR (0.35) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758946-B2 Electrolyte suitable for use in a lithium ion cell or battery GINER, INC. (US) 2014-06-24 US claimed
US-20080193855-A1 A lithium salt, a lithium ion solvating solvent; and fluorinated solvent; high dielectric constant, a low viscosity and a high flashpoint GINER, INC. 2008-08-14 US claimed
US-8835510-B2 Methods and compositions for treating conditions mediated by oxidative stress or electrophilic environmental toxins MONTEFIORE MEDICAL CENTER (US) 2014-09-16 US disclosed
US-8758946-B2 Electrolyte suitable for use in a lithium ion cell or battery GINER, INC. (US) 2014-06-24 US disclosed
US-20130116337-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS MEDIATED BY OXIDATIVE STRESS OR ELECTROPHILIC ENVIRONMENTAL TOXINS MONTEFIORE MEDICAL CENTER 2013-05-09 US disclosed
US-20080193855-A1 A lithium salt, a lithium ion solvating solvent; and fluorinated solvent; high dielectric constant, a low viscosity and a high flashpoint GINER, INC. 2008-08-14 US disclosed
US-20070042602-A1 Etch method using supercritical fluids The University of Massachusetts, a Massachusetts corporations, 2007-02-22 US disclosed
EP-1264864-B1 Addition curable silicone composition comprising titanium chelate and a hydroxy-functional organic unsaturated compound DOW CORNING (US) 2005-08-10 EP disclosed
US-20040118812-A1 Etch method using supercritical fluids NOVELLUS SYSTEMS, INC. 2004-06-24 US disclosed
US-6512037-B1 Hydrosilylation addition-curable silicone composition containing a titanium or zirconium compound having at least one aliphatic carbon-carbon multiple bond DOW CORNING CORPORATION 2003-01-28 US disclosed
US-20030013802-A1 SILICONE COMPOSITION AND CURED SILICONE PRODUCT DOW CORNING CORPORATION 2003-01-16 US disclosed
EP-1264864-A1 Addition curable silicone composition comprising titanium chelate and a hydroxy-functional organic unsaturated compound Dow Corning Corporation (US) 2002-12-11 EP disclosed
EP-1264865-A1 Addition-curable silicone composition with improved adhesion and cured silicone product Dow Corning Corporation (US) 2002-12-11 EP disclosed
US-6482888-B1 Silicone composition and cured silicone product DOW CORNING CORPORATION 2002-11-19 US disclosed
WO-1989004334-A1 CURABLE COMPOSITIONS CONTAINING ETHYLENICALLY UNSATURATED MONOMERS, POLYARYLCYANATE ESTER COMPOSITIONS AND CATALYST THE DOW CHEMICAL COMPANY (US) 1989-05-18 WO disclosed
EP-0315089-A2 Curable compositions containing ethylenically unsaturated monomers, polyarylcyanate ester compositions and catalyst THE DOW CHEMICAL COMPANY (US) 1989-05-10 EP 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 (1 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-20130116337-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS MEDIATED BY OXIDATIVE STRESS OR ELECTROPHILIC ENVIRONMENTAL TOXINS LPO, SOD1, SOD3 FAAH 1498/4885CES1 484/4885CES2 242/4885

“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.