SCHEMBL1902302

SCHEMBL1902302

CC(=O)c1cccc2c1OC(F)(F)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
FFAR4 Q5NUL3 1/20 0.36
ADORA2A P29274 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
PDK2 Q15119 1/20 0.35
ATR Q13535 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
ALOX15 P16050 1/20 0.34
HTR2A P28223 1/20 0.34
KMT2A Q03164 1/20 0.33
HDAC4 P56524 1/20 0.33
CXCR2 P25025 2/20 0.33
KIT P10721 1/20 0.33
BRAF P15056 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29710998 0.84 ALOX5 (0.41) FFAR4CTNNB1WNT3AATRALDH1A1
SCHEMBL9726223 0.84 FFAR4 (0.36) IDO1FFAR4ADORA2ACTNNB1WNT3A
SCHEMBL8884156 0.83 IDO1 (0.37) IDO1FFAR4ADORA2ACTNNB1WNT3A
SCHEMBL10687705 0.83 FFAR4 (0.36) IDO1FFAR4ADORA2ACTNNB1WNT3A
SCHEMBL4764043 0.83 PARP1 (0.44) FFAR4ATRALDH1A1KDM4E
SCHEMBL1256244 0.83 ALOX15 (0.40) IDO1FFAR4ADORA2ACTNNB1WNT3A
SCHEMBL765011 0.83 IDO1 (0.31) IDO1FFAR4ADORA2AATRHTR1A
Hydrochloric Acid SCHEMBL9235440 0.83 ALOX5 (0.41) FFAR4CTNNB1WNT3AATRALDH1A1
SCHEMBL8886611 0.82 PDK2 (0.39) IDO1FFAR4ADORA2ACTNNB1WNT3A
SCHEMBL22886590 0.82 TRPA1 (0.47) ADORA2APDK2ALDH1A1ALOX15KMT2A

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 72 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-11225470-B2 Tetrazolinone compounds and its use as pest control agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-01-18 US disclosed
EP-3544973-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL CO (JP) 2021-07-28 EP disclosed
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
WO-2018097318-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-31 WO 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
US-5514816-A REACTION OF DIFLUOROBENZO-1,3-DIOXOLE WITH METAL COMPOUNDS FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1996-05-07 US disclosed
US-5496848-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1996-03-05 US disclosed
US-5493032-A INSECTICIDES, MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1996-02-20 US disclosed
EP-0333658-B1 Process for the preparation of substituted difluorbenzo-1,3-dioxoles CIBA GEIGY AG (CH) 1995-07-26 EP disclosed
US-5420301-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1995-05-30 US disclosed
US-5281718-A Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
EP-0538156-A1 Fungicidal phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1993-04-21 EP disclosed
US-5194628-A Reacting metallo-difluorobenzodioxole with unsaturated nitrile and then with sulfonylmethyl isocyanide CIBA-GEIGY CORPORATION (US) 1993-03-16 US disclosed
EP-0333658-A2 Process for the preparation of substituted difluorbenzo-1,3-dioxoles CIBA-GEIGY AG (CH) 1989-09-20 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-11225470-B2 Tetrazolinone compounds and its use as pest control agents CYC1, MT-CO1, CTRL IDO1 508/4885FFAR4 3490/4885ADORA2A 4590/4885

“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.