SCHEMBL1901977

SCHEMBL1901977

CC(=O)OCc1cc(F)ccc1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.44
AMY1A P0DUB6 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
MMP2 P08253 2/20 0.41
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKT1 P31749 1/20 0.40
CFD P00746 2/20 0.40
PTGS2 P35354 1/20 0.39
PTGS1 P23219 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1742081 0.85 AKT1 (0.49) ALDH1A1GAAHPGDAMY1ACYP4F2
SCHEMBL4842042 0.83 CYP3A4 (0.47) ALDH1A1GAATSHRKDM4ERAB9A
SCHEMBL27611659 0.82 CYP4F2 (0.44) ALDH1A1GAAHPGDAMY1ACYP4F2
SCHEMBL13034155 0.81 MMP2 (0.54) ALDH1A1HPGDCYP4F2CYP4A11MMP2
SCHEMBL30786724 0.81 ALDH1A1 (0.52) ALDH1A1GAAHPGDTSHRKDM4E
SCHEMBL30786725 0.81 ALDH1A1 (0.52) ALDH1A1GAAHPGDTSHRKDM4E
SCHEMBL11110793 0.81 ALDH1A1 (0.52) ALDH1A1GAAHPGDTSHRKDM4E
SCHEMBL2445135 0.81 HSD17B10 (0.51) ALDH1A1GAAHPGDAMY1ACYP4F2
SCHEMBL13034126 0.81 HDAC3 (0.46) ALDH1A1GAAHPGDRAB9APTGS2
SCHEMBL3987965 0.81 CFD (0.46) ALDH1A1GAATSHRKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197167-A1 Fluorinated Additives For Lithium Ion Batteries SOLVAY FLUOR GMBH (DE) 2009-08-06 US claimed
EP-1938404-A1 FLUORINATED ADDITIVES FOR LITHIUM ION BATTERIES Solvay Fluor GmbH (DE) 2008-07-02 EP claimed
WO-2007042471-A1 FLUORINATED ADDITIVES FOR LITHIUM ION BATTERIES SOLVAY FLUOR GMBH (DE) 2007-04-19 WO claimed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
US-10106492-B2 Fluorinated carbonyl compounds comprising a triple bond, methods for their manufacture and uses thereof SOLVAY SA (BE) 2018-10-23 US disclosed
US-9969673-B2 Process for the manufacture of 1, 1′-difluorosubstituted dialkyl carbonates, isomers thereof and electrolyte compositions containing them SOLVAY S.A. (BE) 2018-05-15 US disclosed
EP-2788313-B1 PROCESS FOR THE MANUFACTURE OF 1,1'-DIFLUOROSUBSTITUTED DIALKYL CARBONATES SOLVAY (BE) 2018-02-21 EP disclosed
US-9882198-B2 High performance lithium battery electrodes by self-assembly processing THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-01-30 US disclosed
US-9825331-B2 Fluorinated derivatives of meldrum's acid, a method for the preparation of the same, and their use as a solvent additive SOLVAY SA (BE) 2017-11-21 US disclosed
EP-2785703-B1 5-Fluorinated derivatives of Meldrum's acid (5-fluoro-1,3-dioxane-4,6-dione derivatives), methods for their preparation and their use as solvent additives in lithium ion batteries. SOLVAY (BE) 2017-01-11 EP disclosed
EP-2873110-B1 FLUORINATED CARBONYL COMPOUNDS COMPRISING A TRIPLE BOND, METHODS FOR THEIR MANUFACTURE AND USES THEREOF SOLVAY (BE) 2016-12-21 EP disclosed
US-20150221929-A1 High Performance Lithium Battery Electrodes By Self-Assembly Processing THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-08-06 US disclosed
US-20120214043-A1 Lithium sulfur battery SOLVAY FLUOR GMBH (DE) 2012-08-23 US disclosed
WO-2011051275-A1 LITHIUM SULFUR BATTERY SOLVAY FLUOR GMBH (DE) 2011-05-05 WO disclosed
US-20090197167-A1 Fluorinated Additives For Lithium Ion Batteries SOLVAY FLUOR GMBH (DE) 2009-08-06 US disclosed
EP-1938404-A1 FLUORINATED ADDITIVES FOR LITHIUM ION BATTERIES Solvay Fluor GmbH (DE) 2008-07-02 EP disclosed
WO-2007042471-A1 FLUORINATED ADDITIVES FOR LITHIUM ION BATTERIES SOLVAY FLUOR GMBH (DE) 2007-04-19 WO disclosed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP disclosed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 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 (2 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-20040171864-A1 Fluorinated aromatics AFF1, AFF2, AFF4 ALDH1A1 1595/4885GAA 163/4885HPGD 3708/4885
US-20120214043-A1 Lithium sulfur battery PFAS, PFKFB1, PFKFB2 ALDH1A1 3873/4885GAA 3480/4885HPGD 3883/4885

“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.