SCHEMBL522223

SCHEMBL522223

COC(=O)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA4 P22748 2/20 0.52
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43

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
SCHEMBL1998427 0.89 MAPT (0.47) CA1CA2CA4TSHRMAPK1
SCHEMBL19478316 0.88 CA1 (0.45) CA1CA2CA4TSHRMAPK1
SCHEMBL24445906 0.88 CA1 (0.48) CA1CA2CA4TSHRMAPK1
SCHEMBL29562023 0.86 TSHR (0.41) CA1CA2CA4TSHRMAPK1
SCHEMBL9766054 0.86 CA1 (0.44) CA1CA2CA4TSHRMAPK1
SCHEMBL22832001 0.86 TSHR (0.41) CA1CA2CA4TSHRMAPK1
SCHEMBL30699529 0.86 CA1 (0.44) CA1CA2CA4TSHRMAPK1
SCHEMBL24445910 0.84 XDH (0.47) CA1CA2CA4TSHRMAPK1
SCHEMBL522175 0.83 TSHR (0.61) CA1CA2TSHRMAPK1CA9
SCHEMBL24436890 0.81 CYP3A4 (0.52) CA1CA2TSHRMAPK1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
CN-115010600-B Method for synthesizing polyfluoroaryl carboxylic acid compound based on aryl fluorocarbon bond carboxylation reaction 四川大学 2023-11-17 CN disclosed
CN-114751807-B Preparation process of 2,3,5, 6-tetrafluorobenzyl alcohol 忠同科技(大连)有限公司 2023-08-22 CN disclosed
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-08-03 US disclosed
CN-113797977-B Ruthenium catalyst and application thereof 沈阳中化农药化工研发有限公司 2022-11-29 CN disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR 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
WO-2011154700-A1 CARBOXYLATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2011-12-15 WO disclosed
US-20110172336-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2011-07-14 US disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed
EP-0266947-B1 HALOGENATED ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4853414-A 1-/2-ALKOXY-3,5-DIFLUOROBENZYL ESTERS OF 2,2-DIMETHYL-3-ALKYLCYCLOPROPIONIC ACID; INSECTICIDES; PESTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-01 US disclosed
EP-0266947-A2 Halogenated esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 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 (4 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 CA1 335/4885CA2 995/4885CA4 345/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CA1 3451/4885CA2 1978/4885CA4 3285/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 CA1 1406/4885CA2 2955/4885CA4 1351/4885
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AFF4, AFF1, AFF2 CA1 4135/4885CA2 4714/4885CA4 2926/4885

“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.