SCHEMBL289690

SCHEMBL289690

O=C(Cl)c1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.44
CES1 P23141 8/20 0.44
ERN1 O75460 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
HCAR1 Q9BXC0 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SPR P35270 1/20 0.33

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
SCHEMBL17056077 0.84 GAA (0.39) CES2CES1ERN1GAAKMT2A
SCHEMBL2397770 0.82 ALDH1A1 (0.41) CES2CES1GAAKMT2AALDH1A1
SCHEMBL1085223 0.80 DGAT1 (0.41) CES2CES1GAAKMT2AALDH1A1
SCHEMBL9712503 0.80 HDAC1 (0.38) GAAKMT2AALDH1A1ALOX15CA1
SCHEMBL23764727 0.78 LMNA (0.44) CES2CES1ALDH1A1ALOX15CA1
Hydrochloric Acid SCHEMBL11874647 0.78 ALDH1A1 (0.35) CES2CES1ALDH1A1ALOX15CA1
SCHEMBL10029664 0.78 CES2 (0.48) CES2CES1ERN1GAAKMT2A
SCHEMBL4514781 0.77 ALDH1A1 (0.52) CES2CES1ERN1KMT2AALDH1A1
SCHEMBL16408244 0.77 CES2 (0.45) CES2CES1GAAALDH1A1ALOX15
SCHEMBL1026644 0.77 CES2 (0.39) CES2CES1ERN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120044163-A HPLC analysis and detection method for 2,4, 6-trifluoro benzoyl chloride and related substances thereof 复星万邦(江苏)医药集团有限公司 2025-05-27 CN claimed
CN-114144408-B Large scale preparation of 2,4, 6-trifluoro-N- [6- (1-methyl-piperidine-4-carbonyl) -pyridin-2-yl ] -benzamide hemisuccinate and process and intermediates for preparing 2,4, 6-trifluoro-N- [6- (1-methyl-piperidine-4-carbonyl) -pyridin-2-yl ] -benzamide acetate 伊莱利利公司 2025-04-15 CN claimed
CN-118047752-A Lamiditan hemisuccinate impurity and preparation method thereof 江苏万邦生化医药集团有限责任公司 2024-05-17 CN claimed
CN-113045540-B Preparation method of masmipide 上海天慈国际药业有限公司 2024-02-13 CN claimed
CN-114751900-B D-A type organic luminescent material and preparation method and application thereof 南京邮电大学 2023-09-12 CN claimed
CN-115557932-A Preparation method of lamidottan dimer impurity 江苏万邦生化医药集团有限责任公司 2023-01-03 CN claimed
CN-114751900-A D-A type organic luminescent material and preparation method and application thereof 南京邮电大学 2022-07-15 CN claimed
CN-114144408-A Process and intermediates for large scale preparation of 2,4, 6-trifluoro-N- [6- (1-methyl-piperidine-4-carbonyl) -pyridin-2-yl ] -benzamide hemisuccinate and preparation of 2,4, 6-trifluoro-N- [6- (1-methyl-piperidine-4-carbonyl) -pyridin-2-yl ] -benzamide acetate 伊莱利利公司 2022-03-04 CN claimed
CN-113045540-A Preparation method of rasemiptan 上海天慈国际药业有限公司 2021-06-29 CN claimed
CN-110386918-B Preparation method of 5-HT1F agonist compound 新发药业有限公司 2020-06-09 CN claimed
CN-110386918-A A kind of preparation method of 5-HT1F agonist compound 新发药业有限公司 2019-10-29 CN claimed
CN-103487455-B A kind of method of hydroxy-containing compounds in Quantitative detection olive oil SHANGHAI UNIVERSITY (CN) 2016-04-27 CN claimed
US-8697876-B2 Compositions and methods of synthesis of pyridinolypiperidine 5-HT1F agonists COLUCID PHARMACEUTICALS, INC. (US) 2014-04-15 US claimed
CN-103487455-A Novel method for quick quantitative determination of hydroxy components in olive oil UNIV SHANGHAI 2014-01-01 CN claimed
US-20130072524-A1 Compositions And Methods Of Synthesis Of Pyridinolypiperidine 5-HT1F Agonists APTUIT (EDINBURGH) LTD. (GB) 2013-03-21 US claimed
WO-2011123654-A1 COMPOSITIONS AND METHODS OF SYNTHESIS OF PYRIDINOYLPIPERIDINE 5-HT1F AGONISTS COLUCID PHARMACEUTICALS, INC. (US) 2011-10-06 WO claimed
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 EP claimed
CN-114573555-B Preparation method of compound for treating migraine 上海天慈国际药业有限公司 2026-02-17 CN disclosed
EP-0060617-A1 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed
EP-0031199-A1 Substituted benzyl esters of cyclopropane carboxylic acids and their preparation, compositions containing them and methods of combating insect pests therewith, and substituted benzyl alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-01 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-20130072524-A1 Compositions And Methods Of Synthesis Of Pyridinolypiperidine 5-HT1F Agonists HTR1F, HTR1A, HTR1D CES2 4069/4885CES1 2314/4885ERN1 4550/4885

“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.