SCHEMBL124955

SCHEMBL124955

CC(=O)OCCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
TSHR P16473 1/20 0.44
GALR3 O60755 2/20 0.43
GAA P10253 2/20 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
SCHEMBL9963673 0.86 ALDH1A1 (0.54) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL16937449 0.85 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL12445289 0.85 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL18116513 0.84 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL13034084 0.83 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL15449198 0.83 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL27386306 0.82 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL124874 0.81 SLC13A3 (0.35) CHRM5CHRM1CHRM3TSHRRAB9A
SCHEMBL30881898 0.81 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL27734433 0.81 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114678493-A Negative plate and battery 珠海冠宇电池股份有限公司 2022-06-28 CN claimed
CN-114614098-A Electrolyte and battery 珠海冠宇电池股份有限公司 2022-06-10 CN claimed
EP-3953341-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP claimed
WO-2020208511-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LIMITED (IN) 2020-10-15 WO claimed
CN-107359369-A Electrolyte and lithium ion battery 宁德新能源科技有限公司 2017-11-17 CN claimed
WO-2024136572-A1 NON-AQUEOUS ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING SAME 주식회사 엘지에너지솔루션 2024-06-27 WO disclosed
US-20230276792-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CLOQUINTOCET-MEXYL BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 US disclosed
US-20230217926-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND ISOXADIFEN-ETHYL BAYER AKTIENGESELLSCHAFT (DE) 2023-07-13 US disclosed
US-20230200390-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND MEFENPYR-DIETHYL BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230200394-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND BENOXACOR BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
CN-110495042-B Electrolyte for lithium ion secondary battery, and module 大金工业株式会社 2022-12-16 CN disclosed
CN-114678493-A Negative plate and battery 珠海冠宇电池股份有限公司 2022-06-28 CN disclosed
US-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
WO-2008002924-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-01-03 WO disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
WO-1998058892-A2 PREPARATION OF FLUOROALKYL COMPOUNDS AND THEIR DERIVATIVES ALLIEDSIGNAL INC. (US) 1998-12-30 WO disclosed
US-5777184-A Preparation of fluoroalkyl compounds and their derivatives ALLIEDSIGNAL INC. (US) 1998-07-07 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 (9 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-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR HPN, HCCS, SPINT2 ALDH1A1 450/4885CHRM5 4611/4885CHRM1 4356/4885
US-20230200394-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND BENOXACOR AADAC, CBR3, BROX ALDH1A1 573/4885CHRM5 1962/4885CHRM1 1808/4885
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC ALDH1A1 923/4885CHRM5 4792/4885CHRM1 4724/4885
US-20230276792-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CLOQUINTOCET-MEXYL AADAC, ABAT, ABCG2 ALDH1A1 1560/4885CHRM5 3140/4885CHRM1 3098/4885
US-20230217926-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND ISOXADIFEN-ETHYL AADAC, CYP4F12, IDH2 ALDH1A1 1005/4885CHRM5 3480/4885CHRM1 3001/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ALDH1A1 1236/4885CHRM5 4813/4885CHRM1 4811/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC ALDH1A1 1344/4885CHRM5 4647/4885CHRM1 4660/4885
US-20230200390-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND MEFENPYR-DIETHYL DDT, AADAC, EFHD2 ALDH1A1 929/4885CHRM5 3551/4885CHRM1 3148/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP ALDH1A1 1229/4885CHRM5 4667/4885CHRM1 4625/4885

“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.