SCHEMBL125138

SCHEMBL125138

CCOC(=O)C(F)(F)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MAPT P10636 4/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1979744 0.87 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL9068700 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL29083077 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL11204020 0.81 CYP4F2 (0.42) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL3372776 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10PKMKDM4E
Water SCHEMBL4000009 0.81 MEN1 (0.44) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL13807718 0.79 SOAT1 (0.42) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL10825861 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10PKMKDM4E
Fluoride SCHEMBL11204021 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL8160331 0.79 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930595-A Synthetic process of isoxazoline derivative 江苏剑牌农化股份有限公司 2025-05-06 CN claimed
CN-119101010-B Difluoromethyl thiazole amide-containing compound and application thereof as bactericide 安徽理工大学 2025-04-04 CN claimed
CN-119591545-A Synthesis method of difluoro pyrazole acid and ester and intermediate thereof 湖北晟康化工有限公司 2025-03-11 CN claimed
CN-118420467-B Method for separating methyl acetate/ethyl acetate-methanol/ethanol-water mixed solution by using NMP waste liquid 湖南工程学院 2024-08-30 CN claimed
CN-118420467-A Method for separating methyl acetate/ethyl acetate-methanol/ethanol-water mixed solution by using NMP waste liquid 湖南工程学院 2024-08-02 CN claimed
CN-114957123-B 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2023-11-28 CN claimed
CN-114210288-B 1, 1-difluoroacetone production device and production method thereof 科莱博(江苏)科技股份有限公司 2023-09-05 CN claimed
CN-218248556-U Difluoro acetoacetic ester apparatus for producing 福建久策气体股份有限公司 2023-01-10 CN claimed
CN-112574039-B Synthesis method of ethyl difluoroacetoacetate 湖南海利化工股份有限公司 2022-12-16 CN claimed
CN-115282894-A Difluoro ethyl acetoacetate production device and working method thereof 福建久策气体股份有限公司 2022-11-04 CN claimed
CN-112574039-A Synthesis method of ethyl difluoroacetoacetate 湖南海利化工股份有限公司 2021-03-30 CN claimed
CN-110669007-A 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic ester compound and preparation method and application thereof 浙江工业大学 2020-01-10 CN claimed
CN-110615764-A N- (2-benzamide) -1H-pyrazole-4-formamide compound and preparation method and application thereof 浙江工业大学 2019-12-27 CN claimed
EP-2571854-B1 METHOD FOR MANUFACTURING 1-ALKYL-3-DIFLUORMETHYL-5-HYDROXYPYRAZOLES BAYER IP GMBH (DE) 2014-11-05 EP claimed
US-8455664-B2 Process for preparing 1-alkyl-3-difluoromethyl-5-hydroxypyrazoles BAYER CROPSCIENCE AG (DE) 2013-06-04 US claimed
EP-2571854-A1 METHOD FOR MANUFACTURING 1 - ALKYL - 3 - DIFLUORMETHYL - 5 - HYDROXYPYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-03-27 EP claimed
WO-2011144549-A1 METHOD FOR MANUFACTURING 1 - ALKYL - 3 - DIFLUORMETHYL - 5 - HYDROXYPYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-11-24 WO claimed
US-20110288304-A1 Process for Preparing 1-Alkyl-3-difluoromethyl-5-hydroxypyrazoles BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
EP-0135491-B1 HERBICIDAL 2,6-BIS-FLUOROMETHYL-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTERS MONSANTO COMPANY (US) 1989-01-25 EP claimed
EP-0135491-A1 Herbicidal 2,6-bis-fluoromethyl-dihydropyridine-3,5-dicarboxylic acid esters MONSANTO COMPANY (US) 1985-03-27 EP 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 (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-20110288304-A1 Process for Preparing 1-Alkyl-3-difluoromethyl-5-hydroxypyrazoles CYP51A1, CYP3A5, CYP4F3 ALDH1A1 272/4885LMNA 3430/4885HSD17B10 257/4885

“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.