SCHEMBL67891

SCHEMBL67891

CCCC(=O)OC(F)(F)CF

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CES1 P23141 6/20 0.35
CES2 O00748 3/20 0.35
FAAH O00519 8/20 0.34
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL8062961 0.86 FAAH (0.48) CES1CES2FAAHLMNAMEN1
SCHEMBL835849 0.84 FAAH (0.50) CES1CES2FAAHLMNAMEN1
SCHEMBL6898362 0.84 FAAH (0.50) CES1CES2FAAHLMNAMEN1
SCHEMBL3422366 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17425328 0.79 ALDH1A1 (0.52) ALDH1A1CES1CES2FAAHHDAC3
SCHEMBL2885841 0.76 ALDH1A1 (0.40) ALDH1A1CES1CES2FAAHLMNA
SCHEMBL5748551 0.76 ALDH1A1 (0.48) ALDH1A1CES1CES2FAAHHDAC3
SCHEMBL27581259 0.76 ALDH1A1 (0.48) ALDH1A1CES1CES2FAAHHDAC3
SCHEMBL11257758 0.75 ALDH1A1 (0.52) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL16856433 0.74 ALDH1A1 (0.46) ALDH1A1CES1CES2FAAHHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117154190-A Mixed electrolyte and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-12-01 CN claimed
CN-115411365-A Non-aqueous electrolyte and application thereof 远景动力技术(江苏)有限公司 2022-11-29 CN claimed
US-8748046-B2 Lithium-ion electrolytes with fluoroester co-solvents CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-06-10 US claimed
US-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 US claimed
US-20080305401-A1 Lithium-ion electrolytes with fluoroester co-solvents UNIVERSITY OF SOUTHERN CALIFORNIA 2008-12-11 US claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
EP-1581465-A2 BIOCATALYTIC PREPARATION OF ENANTIOMERICALLY ENRICHED AMINOPENTANENITRILE PCBU Services, Inc. (US) 2005-10-05 EP claimed
US-20050026260-A1 Enzymatic resolution of propylene glycol alkyl (or aryl) ethers and ether acetates RESNICK SOL M (US) 2005-02-03 US claimed
EP-1490501-A2 ENZYMATIC RESOLUTION OF PROPYLENE GLYCOL ALKYL (OR ARYL) ETHERS AND ETHER ACETATES Dow Global Technologies Inc. (US) 2004-12-29 EP claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
WO-2004058701-A2 BIOCATALYTIC PREPARATION OF ENANTIOMERICALLY ENRICHED AMINOPENTANENITRILE PCBU SERVICES, INC. (US) 2004-07-15 WO claimed
US-20040121435-A1 Biocatalytic preparation of enantiomerically enriched aminopentanenitrile PFIZER INC. 2004-06-24 US claimed
WO-2003083126-A2 ENZYMATIC RESOLUTION OF PROPYLENE GLYCOL ALKYL (OR ARYL) ETHERS AND ETHER ACETATES DOW GLOBAL TECHNOLOGIES INC. (US) 2003-10-09 WO claimed
EP-1002123-A1 ENZYMATIC KINETIC RESOLUTION OF AN INTERMEDIATE USEFUL FOR PREPARING SUBSTITUTED TRICYCLICS SCHERING CORPORATION (US) 2000-05-24 EP claimed
US-6037166-A MULTISTEP PROCESS USING HYDROLASE AND ACYLATING AGENT; OPTIONALLY CONVERTING UNDESIRED ISOMERS INTO RACEMATE BY HEATING AND RESUBJECTING TO PROCESS; FOR ANTIHISTAMINES AND INHIBITORS OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-03-14 US claimed
WO-1998058073-A1 ENZYMATIC KINETIC RESOLUTION OF AN INTERMEDIATE USEFUL FOR PREPARING SUBSTITUTED TRICYCLICS SCHERING CORPORATION (US) 1998-12-23 WO claimed
US-H1679-H Process for preparing an optically pure intermediate for a phosphonosulfonate soualene synthetase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-02 US claimed

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-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 ALDH1A1 1435/4885CES1 1016/4885CES2 2017/4885

“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.