SCHEMBL7768899

SCHEMBL7768899

Cc1ccc(C(=O)C(Cl)Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.57
ALDH1A1 P00352 5/20 0.54
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.50
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NLRP1 Q9C000 1/20 0.48
GAA P10253 1/20 0.48
NTSR1 P30989 1/20 0.48
SRD5A2 P31213 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
Methyl Alcohol SCHEMBL28958779 0.98 PDPK1 (0.55) PDPK1ALDH1A1CES2CES1LMNA
SCHEMBL31186169 0.87 PDPK1 (0.70) PDPK1CES2CES1LMNASMN1; SMN2
SCHEMBL10384383 0.84 ALDH1A1 (0.52) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL8388071 0.82 ALDH1A1 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL14369396 0.81 PDPK1 (0.57) PDPK1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11749506 0.80 SMN1; SMN2 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL11599419 0.80 SMN1; SMN2 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL2233657 0.80 ALDH1A1 (0.59) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL7457651 0.79 SMN1; SMN2 (0.47) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL585256 0.78 ALDH1A1 (0.56) ALDH1A1CES2CES1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724727-A Method for preparing cyazofamid intermediate 2,2-dichloro-4' -methylacetophenone 河北工业职业技术学院 2023-03-03 CN claimed
CN-214106913-U Preparation facilities is used with mediation to methyl dichloroacetophenone 如东众意化工有限公司 2021-09-03 CN claimed
CN-109400534-B Production process of 1-hydroxy-4- (4' -methylphenyl) -2-methoxy oxime imidazole-3-oxide 兰博尔开封科技有限公司 2020-11-03 CN claimed
CN-110963907-B Green synthesis of 2, 2-dialkoxy acetophenone derivative 中国农业科学院植物保护研究所 2023-12-19 CN disclosed
CN-112961043-B Solvent-free preparation of alpha, alpha-dichloroketone 重庆医科大学 2023-06-23 CN disclosed
CN-115724727-A Method for preparing cyazofamid intermediate 2,2-dichloro-4' -methylacetophenone 河北工业职业技术学院 2023-03-03 CN disclosed
CN-115724727-A Method for preparing cyazofamid intermediate 2,2-dichloro-4' -methylacetophenone 河北工业职业技术学院 2023-03-03 CN disclosed
CN-115724727-A Method for preparing cyazofamid intermediate 2,2-dichloro-4' -methylacetophenone 河北工业职业技术学院 2023-03-03 CN disclosed
CN-214106913-U Preparation facilities is used with mediation to methyl dichloroacetophenone 如东众意化工有限公司 2021-09-03 CN disclosed
CN-214106913-U Preparation facilities is used with mediation to methyl dichloroacetophenone 如东众意化工有限公司 2021-09-03 CN disclosed
CN-112961043-A Preparation of alpha, alpha-dichloroketone under solvent-free condition 重庆医科大学 2021-06-15 CN disclosed
US-9464038-B2 Method for producing specific oximes and oximethers BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-11 US disclosed
US-20160107986-A1 IMPROVED METHOD FOR PRODUCING SPECIFIC OXIMES AND OXIMETHERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
CN-102424671-B Synthesis method of 4-chloro-2-cyano-1-dimethylamino-sulfonyl-5-(4-methylphenyl)imidazo XIAN MODERN CHEMISTRY RES INST 2014-05-14 CN disclosed
CN-102424671-A Synthesis method of 4-chloro-2-cyano-1-dimethylaminosulfonyl-5- (4-methylphenyl) imidazole XIAN MODERN CHEMISTRY RES INST 2012-04-25 CN disclosed
JP-2001048825-A PRODUCTION OF HALOGENATED ACETOPHENONE ISHIHARA SANGYO KAISHA LTD 2001-02-20 JP disclosed
WO-2000075094-A2 METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-12-14 WO disclosed
US-5869683-A Processes for producing 1-substituted-2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA, LTD. (JP) 1999-02-09 US disclosed
EP-0705823-A1 Process for producing 1-substituted-2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1996-04-10 EP disclosed
EP-0089650-A1 Process for producing antifungal pyridazinone derivatives and certain novel compounds produced by such a process SANKYO COMPANY LIMITED (JP) 1983-09-28 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 (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-20160107986-A1 IMPROVED METHOD FOR PRODUCING SPECIFIC OXIMES AND OXIMETHERS HAO2, OXER1, OXSR1 PDPK1 4225/4885ALDH1A1 1247/4885CES2 1477/4885

“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.