SCHEMBL7777113

SCHEMBL7777113

OC(F)(F)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.44
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PDK2 Q15119 3/20 0.36
PDK1 Q15118 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ACHE P22303 1/20 0.36
CCR6 P51684 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
KAT6A Q92794 1/20 0.33
NR3C1 P04150 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
SCHEMBL31364541 0.83 ALDH1A1 (0.38) CES1PDK2ALDH1A1
SCHEMBL6489440 0.82 KCNN4 (0.42) KCNN4KCNE1KCNQ1CES2CES1
SCHEMBL7206142 0.80 PDK1 (0.42) KCNN4KCNE1KCNQ1CES2CES1
SCHEMBL5331319 0.80 KCNN4 (0.41) KCNN4KCNE1KCNQ1CES2CES1
SCHEMBL1201504 0.80 CES2 (0.41) KCNN4CES2CES1PDK2PDK1
SCHEMBL24901411 0.80 MEN1 (0.46) KCNN4KCNE1KCNQ1PDK2PDK1
SCHEMBL2974843 0.79 KCNN4 (0.44) KCNN4KCNE1KCNQ1CES2CES1
SCHEMBL29466225 0.78 SLC22A12 (0.46) KCNN4ACHESLC22A12ALDH1A1
SCHEMBL169053 0.78 SLC22A12 (0.46) KCNN4ACHESLC22A12ALDH1A1
SCHEMBL10602905 0.78 KCNN4 (0.42) KCNN4KCNE1KCNQ1CES2CES1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745766-B Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2024-05-14 CN claimed
CN-115745766-A Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2023-03-07 CN claimed
CN-111253415-A Norcantharidin carboxylic acid trifluorobenzyl ester and synthetic method and application thereof 遵义医科大学 2020-06-09 CN claimed
EP-3882235-B1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND UNIV KOBE NAT UNIV CORP (JP) 2025-01-22 EP disclosed
US-12060312-B2 Production method for isocyanate compound NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2024-08-13 US disclosed
CN-115745766-B Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2024-05-14 CN disclosed
WO-2023160316-A1 PYRETHROID COMPOUND CONTAINING DOUBLE BONDS AND CYANO GROUPS, SYNTHESIS METHOD THEREFOR, AND APPLICATION THEREOF 江苏扬农化工股份有限公司 2023-08-31 WO disclosed
CN-115745766-A Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2023-03-07 CN disclosed
CN-111253415-B Norcantharidin carboxylic acid trifluoro benzyl ester and synthetic method and application thereof 遵义医科大学 2022-08-09 CN disclosed
US-20220002234-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2022-01-06 US disclosed
EP-3882235-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND National University Corporation Kobe University (JP) 2021-09-22 EP disclosed
CN-113015719-A Method for producing isocyanate compound 国立大学法人神户大学 2021-06-22 CN disclosed
CN-111253415-A Norcantharidin carboxylic acid trifluorobenzyl ester and synthetic method and application thereof 遵义医科大学 2020-06-09 CN disclosed
CN-1134414-C Substituted oximes, hydrazones and alkenes useful as neurokinin antagonists �й�ҽѧ��ѧԺҩ���о��� 2004-01-14 CN disclosed
EP-1140759-A1 POLYMERIZABLE HALOGENATED VINYL ETHERS AlliedSignal Inc. (US) 2001-10-10 EP disclosed
WO-2000037403-A1 POLYMERIZABLE HALOGENATED VINYL ETHERS ALLIEDSIGNAL INC. (US) 2000-06-29 WO disclosed
CN-1189821-A Substituted oximes, hydrazones and olefins as neurokinin antagonists SCHERING CORP (US) 1998-08-05 CN 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-12060312-B2 Production method for isocyanate compound IDH2, CBR3, IDH3A KCNN4 934/4885KCNE1 1413/4885KCNQ1 882/4885
US-20220002234-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND IDH2, CBR3, IDH3A KCNN4 934/4885KCNE1 1413/4885KCNQ1 882/4885

“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.