SCHEMBL334641

SCHEMBL334641

O=C(O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
CES2 O00748 4/20 0.50
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CES1 P23141 2/20 0.47
ASPH Q12797 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
GRIK1 P39086 1/20 0.46
MPO P05164 1/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
IDO1 P14902 1/20 0.42
EIF4E P06730 1/20 0.41
MYC P01106 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL28462767 0.88 KMT2A (0.55) KEAP1CES2KMT2AATMHPGD
SCHEMBL25902696 0.87 CDC25B (0.47) KEAP1KMT2AATMALDH1A1HPGD
SCHEMBL27637456 0.87 CES2 (0.56) KEAP1CES2KDM4EALDH1A1HPGD
SCHEMBL3213469 0.86 CES2 (0.48) KEAP1CES2KMT2AATMCES1
SCHEMBL29406303 0.86 KEAP1 (0.55) KEAP1CES2KMT2AKDM4EALDH1A1
SCHEMBL222474 0.86 KEAP1 (0.55) KEAP1CES2KMT2AKDM4EALDH1A1
SCHEMBL8572602 0.86 KEAP1 (0.50) KEAP1CES2KMT2AATMKDM4E
SCHEMBL679186 0.84 CES2 (0.47) KEAP1CES2KMT2AATMALDH1A1
SCHEMBL29789763 0.84 CES2 (0.47) KEAP1CES2KMT2AATMCES1
SCHEMBL2074860 0.84 KMT2A (0.49) CES2KMT2AATMCES1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677472-B Synthesis method of drug intermediate and application of drug intermediate in synthesis of penconazole 辽宁大学 2024-08-06 CN claimed
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 claimed
CN-111072517-B Preparation method of 4-amino-2-trifluoromethyl benzonitrile 常州沃腾化工科技有限公司 2022-08-30 CN claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
CN-111072517-A Preparation method of 4-amino-2-trifluoromethyl benzonitrile 常州沃腾化工科技有限公司 2020-04-28 CN claimed
CN-107681052-B Main group metal complexes as p-dopants for organic electronic matrix materials 西门子公司 2020-03-24 CN claimed
US-10483466-B2 P-doping cross-linking of organic hole transporters SIEMENS AKTIENGESELLSCHAFT (DE) 2019-11-19 US claimed
EP-3114715-B1 P-DOPING CROSS-LINKING OF ORGANIC HOLE TRANSPORTERS SIEMENS AG (DE) 2019-10-30 EP claimed
CN-110088108-A SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-02 CN claimed
CN-106279114-B A kind of synthetic method of Taladegib 东南大学 2019-01-29 CN claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 US claimed
US-20110260051-A1 METHOD FOR DETECTING TRACER COMPOUNDS FOR HYDROCARBON PRODUCTION TOTAL S.A. (FR) 2011-10-27 US claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US 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 (3 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 KEAP1 1864/4885CES2 1598/4885KMT2A 1624/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 KEAP1 2845/4885CES2 2351/4885KMT2A 826/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS KEAP1 3106/4885CES2 594/4885KMT2A 2681/4885

“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.