SCHEMBL168026

SCHEMBL168026

Fc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
PAX8 Q06710 1/20 0.52
KIF11 P52732 6/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ORAI1 Q96D31 1/20 0.48
ORAI2 Q96SN7 1/20 0.48
ORAI3 Q9BRQ5 1/20 0.48
TRPV6 Q9H1D0 1/20 0.48
MGLL Q99685 1/20 0.48
MAOB P27338 1/20 0.44
KCNN4 O15554 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NPY5R Q15761 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
Chloromethane SCHEMBL27654425 0.94 PAX8 (0.48) ALDH1A1TSHRPAX8KIF11CYP1A1
SCHEMBL7940597 0.91 KIF11 (0.64) ALDH1A1TSHRPAX8KIF11MAOB
Bromomethane SCHEMBL27825372 0.91 PAX8 (0.47) ALDH1A1TSHRPAX8KIF11CYP1A1
SCHEMBL27980338 0.89 PAX8 (0.50) ALDH1A1TSHRPAX8KIF11CYP1A1
SCHEMBL7937282 0.87 ESR1 (0.52) ALDH1A1TSHRPAX8KIF11CYP1A1
SCHEMBL7938348 0.87 PAX8 (0.44) ALDH1A1TSHRPAX8KIF11CYP1A1
SCHEMBL63468 0.86 ALDH1A1 (0.67) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL7938383 0.84 LTA4H (0.46) PAX8KIF11CYP1A1CYP1B1RAB9A
SCHEMBL9419907 0.84 KIF11 (0.48) ALDH1A1TSHRPAX8KIF11CYP1A1
SCHEMBL9419888 0.84 CYP1A1 (0.62) CYP1A1CYP1B1MAOB

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 1846 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12334502-B2 Electrolytes for lithium-containing battery cells APPLE INC. (US) 2025-06-17 US claimed
CN-119161255-A Production process of 2, 6-dichloro-4-trifluoromethyl aniline 湖北丰山新材料科技有限公司 2024-12-20 CN claimed
US-12122935-B2 Curable organopolysiloxane composition for forming film and production method for organopolysiloxane cured product film DOW TORAY CO., LTD. (JP) 2024-10-22 US claimed
CN-118652422-A High-purity high-temperature-resistant anti-aging low-dielectric polyphenyl ether and preparation method thereof 四川大学 2024-09-17 CN claimed
US-12027670-B2 Non-aqueous electrolyte solution and lithium secondary battery including the same LG ENERGY SOLUTION, LTD. (KR) 2024-07-02 US claimed
US-20240136585-A1 ELECTROLYTES FOR LITHIUM-CONTAINING BATTERY CELLS APPLE INC. (US) 2024-04-25 US claimed
CN-117466770-A Preparation method of 2-nitro-4- (trifluoromethyl) benzonitrile 北京颖泰嘉和生物科技股份有限公司 2024-01-30 CN claimed
US-11881558-B2 Electrolytes for lithium-containing battery cells APPLE INC. (US) 2024-01-23 US claimed
CN-117239231-A Electrolyte additive for lithium battery, electrolyte and preparation method of electrolyte 哈尔滨工业大学 2023-12-15 CN claimed
CN-117059898-A Lithium ion battery composite flame-retardant electrolyte, preparation method and lithium ion battery 英德侗富贵科技材料有限公司 2023-11-14 CN claimed
WO-2000007976-A1 FLUOXETINE PROCESS FROM BENZOYLACETONITRILE SEPRACOR INC. (US) 2000-02-17 WO claimed
US-6025517-A Fluoxetine process from benzoylacetonitrile SEPRACOR INC. (US) 2000-02-15 US claimed
EP-0607826-B1 Fluoro-trifluoromethylbenzoic acid derivatives BAYER AG (DE) 1997-05-07 EP claimed
US-5493048-A REACTING METALLIZED FLUORO-TRIFLUOROMETHYLBENZENE DERIVATIVE WITH CARBON DIOXIDE AND PRODUCT IS THEN HYDROLYSED WITH AN ACID TO FORM ACID, SIMILARLY HALOGENATION GIVE ACID HALIDE AND WITH ALCOHOL GIVES ESTER BAYER AKTIENGESELLSCHAFT (DE) 1996-02-20 US claimed
EP-0607826-A1 Fluoro-Trifluoromethylbenzoic acid derivatives BAYER AG (DE) 1994-07-27 EP claimed
US-5315043-A Potassium, cesium, rubidium fluorides and hydrofluoric acid E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US claimed
US-5300692-A Process for producing 4-amino-3-fluorobenzotrifluoride SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US claimed
CN-1021323-C PROCESS FOR PREPARING ANTIDEPRESSANTS MERRELL DOW PHARMA (US) 1993-06-23 CN claimed
CN-1033043-A The method for making of new antidepressive MERRELL DOW PHARMA (US) 1989-05-24 CN claimed
US-4424396-A ARYL HALIDE, A-AMINOACID OCCIDENTAL CHEMICAL CORPORATION (US) 1984-01-03 US claimed

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-20240136585-A1 ELECTROLYTES FOR LITHIUM-CONTAINING BATTERY CELLS CEL, CA3, SLC9B2 ALDH1A1 2487/4885TSHR 3117/4885PAX8 673/4885
US-11881558-B2 Electrolytes for lithium-containing battery cells CEL, CA3, SLC9B2 ALDH1A1 2487/4885TSHR 3117/4885PAX8 673/4885
US-12334502-B2 Electrolytes for lithium-containing battery cells CEL, CA3, SLC9B2 ALDH1A1 2487/4885TSHR 3117/4885PAX8 673/4885

“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.