SCHEMBL1041748

SCHEMBL1041748

FC(F)(F)c1cccc(C(F)(F)F)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.46
P2RX7 Q99572 1/20 0.42
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
CA5A P35218 2/20 0.40
CA9 Q16790 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.39
KIF11 P52732 1/20 0.39
CES1 P23141 1/20 0.38
IDO1 P14902 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL10872078 0.88 TAS2R14 (0.40) TAS2R14P2RX7CA2CA1CA5A
SCHEMBL7191759 0.87 TAS2R14 (0.42) TAS2R14P2RX7CA2CA1CA5A
SCHEMBL1198277 0.85 TAS2R14 (0.41) TAS2R14P2RX7CA2LMNAGAA
SCHEMBL28918935 0.85 P2RX7 (0.41) TAS2R14P2RX7CA2LMNAGAA
SCHEMBL29595462 0.85 TAS2R14 (0.41) TAS2R14P2RX7CA2LMNAGAA
SCHEMBL10873508 0.83 P2RX7 (0.44) TAS2R14P2RX7LMNAGAAL3MBTL1
SCHEMBL14919637 0.83 TAS2R14 (0.40) TAS2R14P2RX7CA2CA1CA5A
SCHEMBL5170650 0.83 TAS2R14 (0.40) TAS2R14P2RX7CA2LMNAGAA
SCHEMBL30901313 0.83 P2RX7 (0.44) TAS2R14P2RX7LMNAGAAL3MBTL1
SCHEMBL1854326 0.83 TAS2R14 (0.44) TAS2R14P2RX7CA2CA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843499-A Diamine with asymmetric structure, high-performance polyimide, and preparation methods and applications thereof 华南理工大学 2024-04-09 CN claimed
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US claimed
CN-117623863-B Method for synthesizing (R) - (-) -1, 3-butanediol by diketene one-step method 万华化学集团股份有限公司 2026-05-19 CN disclosed
CN-118354999-A Pyridazine-1 (6H) -6-oxo compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-07-16 CN disclosed
CN-107739352-B Material for electronic devices 默克专利有限公司 2024-05-14 CN disclosed
CN-117843499-A Diamine with asymmetric structure, high-performance polyimide, and preparation methods and applications thereof 华南理工大学 2024-04-09 CN disclosed
CN-117623863-A Method for synthesizing (R) - (-) -1, 3-butanediol by diketene one-step method 万华化学集团股份有限公司 2024-03-01 CN disclosed
US-11818951-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
WO-2023134698-A1 PYRIDAZINE-1(6H)-6-OXO COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 深圳信立泰药业股份有限公司 2023-07-20 WO disclosed
WO-2023134698-A1 PYRIDAZINE-1(6H)-6-OXO COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 深圳信立泰药业股份有限公司 2023-07-20 WO disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 US disclosed
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 US disclosed
EP-1192118-A1 PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE Merck & Co., Inc. (US) 2002-04-03 EP disclosed
US-6350915-B1 FORMING A GRIGNARD REAGENT AND REACTION WITH ACETIC ANHYDRIDE MERCK & CO., INC. 2002-02-26 US disclosed
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US disclosed
US-6268527-B1 REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE CENTRAL GLASS COMPANY, LIMITED (JP) 2001-07-31 US disclosed
US-6255545-B1 BROMINATION OF BENZENE, M-BIS/TRIFLUOROMETHYL/-WITH 1,3-DIBROMO-5,5-DIMETHYLHYDANTOIN OR BROMOSUCCINIMIDE IN THE PRESENCE OF ACETIC ACID AND SULFURIC ACID MERCK & CO., INC. 2001-07-03 US disclosed
WO-2001002326-A1 PROCESS FOR THE SYNTHESIS OF (R)-1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-OL BY ASYMMETRIC TRANSFER HYDROGENATION MERCK & CO., INC. (US) 2001-01-11 WO disclosed
WO-2000076948-A1 PROCESS FOR THE SYNTHESIS OF 1-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHAN-1-ONE MERCK & CO., INC. (US) 2000-12-21 WO disclosed
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US 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 (3 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 TAS2R14 4159/4885P2RX7 3582/4885CA2 1152/4885
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 TAS2R14 4164/4885P2RX7 3400/4885CA2 454/4885
US-11818951-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, CCNE2, CCNE1 TAS2R14 1397/4885P2RX7 3533/4885CA2 2490/4885

“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.