SCHEMBL522412

SCHEMBL522412

COC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
ACHE P22303 1/20 0.39
PKM P14618 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CES2 O00748 1/20 0.37

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
SCHEMBL1719721 0.94 TSHR (0.59) TSHRMAPK1MAPTCA12CA1
SCHEMBL7198377 0.92 TSHR (0.57) TSHRMAPK1MAPTCA12CA1
SCHEMBL522175 0.92 TSHR (0.61) TSHRMAPK1MAPTCA12CA1
SCHEMBL8652422 0.91 TSHR (0.47) TSHRMAPK1MAPTCA12CA1
SCHEMBL8350876 0.87 TSHR (0.48) TSHRMAPK1MAPTCA12CA1
SCHEMBL16300563 0.85 TSHR (0.47) TSHRMAPK1MAPTCA12CA1
SCHEMBL17465159 0.85 TSHR (0.43) TSHRMAPK1MAPTCA12CA1
SCHEMBL24436896 0.84 TSHR (0.50) TSHRMAPK1MAPTCA12CA1
SCHEMBL9719599 0.84 TSHR (0.46) TSHRMAPK1MAPTCA12CA1
SCHEMBL8593844 0.84 TSHR (0.46) TSHRMAPK1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856557-A Process for producing hexafluorobiphenyl -3,3',4,4'-Tetracarboxylic acid precursors UBE INDUSTRIES, LTD. (JP) 1999-01-05 US claimed
JP-4334363-A None JP disclosed
CN-106380729-B Novel PVC heat stabilizer 邵卫东 2019-01-29 CN disclosed
CN-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed
EP-3046176-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY INCLUDING SAME LG Chem, Ltd. (KR) 2016-07-20 EP disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
US-5488152-A Process for the preparation of 4-alkoxy-3,5,6-trifluoro-phthalic acids and 3-alkoxy-2,4,5-trifluorobenzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-30 US disclosed
EP-0667334-A2 Process for the preparation of 4-alkoxy-3,5,6-trifluorophthalic acids and 3-alkoxy-2,4,5-trifluorobenzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-16 EP disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
JP-H04334363-A BIS(3,4-DICARBOXY-2,5,6-TRIFLUOROPHENYL)SULFIDE-TETRAMETHYLESTER AND PRODUCTION THEREOF HITACHI CHEM CO LTD 1992-11-20 JP disclosed
EP-0218111-B1 PROCESS FOR THE PREPARATION OF TETRAFLUOROBENZOIC ACID WARNER LAMBERT CO (US) 1990-07-25 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed
US-4782180-A CATALYTIC DECARBOXYLATION OF TETRAFLUOROPHTHALTIC ACID WARNER-LAMBERT COMPANY (US) 1988-11-01 US disclosed
EP-0218111-A1 Process for the preparation of tetrafluorobenzoic acid WARNER-LAMBERT COMPANY (US) 1987-04-15 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 TSHR 2221/4885MAPK1 3196/4885MAPT 1818/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 TSHR 2411/4885MAPK1 2681/4885MAPT 2830/4885

“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.