Sugi Predict

Sugi Predict / Compounds / SCHEMBL1994129

SCHEMBL1994129

SCHEMBL1994129

CCOC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ PDK2 Q15119 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ CDC25B P30305 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL23817285 0.87 TSHR (0.50) TSHRALDH1A1HSD17B10KDM4EPDK2
SCHEMBL22864268 0.87 ALDH1A1 (0.69) TSHRALDH1A1HSD17B10KDM4EPDK2
SCHEMBL31575818 0.87 ALDH1A1 (0.69) TSHRALDH1A1HSD17B10KDM4EPDK2
SCHEMBL1787314 0.84 TSHR (0.69) TSHRALDH1A1HSD17B10KDM4EPDK2
SCHEMBL9781664 0.84 TSHR (0.69) TSHRALDH1A1HSD17B10KDM4EPDK2
SCHEMBL11696222 0.84 HSD17B10 (0.55) TSHRALDH1A1HSD17B10KDM4EPDK2
SCHEMBL28299341 0.84 TSHR (0.71) TSHRALDH1A1HSD17B10KDM4ELMNA
SCHEMBL513220 0.83 TSHR (0.49) TSHRALDH1A1KDM4ELMNAGAA
SCHEMBL5837400 0.83 TSHR (0.49) TSHRALDH1A1HSD17B10KDM4ELMNA
SCHEMBL1791574 0.81 TSHR (0.65) TSHRALDH1A1HSD17B10KDM4EPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 — — CN claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 — — CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 — — US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 — — US claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 — — US claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 — — CN disclosed
CN-114621280-B Silicon acrylonitrile compound and preparation method and application thereof 华东理工大学 2024-10-25 — — CN disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 — — US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 — — US disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 — — EP disclosed
CN-115677472-A Synthetic method of drug intermediate and application of drug intermediate in synthesis of chlorofluoromethrin 辽宁大学 2023-02-03 — — CN disclosed
WO-2022121907-A1 SILICON ACRYLONITRILE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 华东理工大学 2022-06-16 — — WO disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 — — WO disclosed
US-6624179-B1 Analyzed by reversed phase liquid chromatography in which a packing comprising silica having chemically bonded thereto an alkyl group selected from trimethyl, octyl and octadecyl, is used as the stationary phase, and a polar solvent selected ISHIHARA SANGYO KAISHA LTD. (JP) 2003-09-23 — — US disclosed
CN-1384818-A Novel compounds containing cyano groups, and insecticides and acaricides NIPPON SODA CO (JP) 2002-12-11 — — CN disclosed
EP-1201646-A1 GEOMETRICAL ISOMER OF ACRYLONITRILE COMPOUND, MIXTURE THEREOF, AND PROCESS FOR PRODUCING THESE ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-05-02 — — EP disclosed
US-5296601-A Reaction of aromatic chloride with carbon monoxide and alcohol NIHON NOHYAKU CO., LTD. (JP) 1994-03-22 — — US disclosed
EP-0282266-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID AMIDES OR ESTERS NIHON NOHYAKU CO., LTD. (JP) 1992-09-09 — — EP disclosed
US-5142057-A Reacting an organic chloride with carbon monoxide and amine NIHON NOHYAKU CO., LTD. (JP) 1992-08-25 — — US disclosed
EP-0282266-A2 Process for producing carboxylic acid amides or esters NIHON NOHYAKU CO., LTD. (JP) 1988-09-14 — — 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-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR TSHR 1323/4885ALDH1A1 2254/4885HSD17B10 2974/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR TSHR 3267/4885ALDH1A1 4757/4885HSD17B10 4363/4885

“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.