SCHEMBL919665

SCHEMBL919665

Fc1cc(F)c(Br)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
KDM1B Q8NB78 2/20 0.42
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1B1 P15121 1/20 0.33
ERN1 O75460 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
TGM2 P21980 1/20 0.31
KCNH2 Q12809 2/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL6553272 0.97 KDM1A (0.41) KDM1AKDM1BCES2CES1CA12
SCHEMBL3838838 0.84 MAPT (0.39) KDM1AKDM1BCES2CES1CA12
SCHEMBL29364024 0.84 MAPT (0.39) KDM1AKDM1BCES2CES1CA12
SCHEMBL28282385 0.84 KDM1A (0.34) KDM1AKDM1BCES2CES1CA12
SCHEMBL9154640 0.82 ALDH1A1 (0.46) KDM1AKDM1BCES2CES1CA1
SCHEMBL30350420 0.80 KDM1A (0.34) KDM1AKDM1BCES2CES1
SCHEMBL9108244 0.80 KDM1A (0.34) KDM1AKDM1BCES2CES1
SCHEMBL8309828 0.80 RAPGEF4 (0.40) KDM1AKDM1BCES2CES1ALDH1A1
SCHEMBL4538752 0.80 CA9 (0.44) KDM1AKDM1BCES2CES1CA12
SCHEMBL1931981 0.79 KDM1A (0.42) KDM1AKDM1BAKR1B1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126076-A Preparation method of 2,4, 6-trifluorobenzyl cyanide 清源创新实验室 2023-11-28 CN claimed
CN-117024263-A Preparation method of 2,4, 6-trifluoro-benzoic acid 黑龙江立科新材料有限公司 2023-11-10 CN claimed
EP-3543319-A1 METHOD OF MARKING HYDROCARBON LIQUIDS Johnson Matthey Public Limited Company (GB) 2019-09-25 EP claimed
US-20140120626-A1 METHOD OF MARKING HYDROCARBON LIQUIDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2014-05-01 US claimed
EP-2707465-A1 METHOD OF MARKING HYDROCARBON LIQUIDS Johnson Matthey Public Limited Company (GB) 2014-03-19 EP claimed
WO-2012153132-A1 METHOD OF MARKING HYDROCARBON LIQUIDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2012-11-15 WO claimed
EP-1362860-B1 Method for producing tetrakis (fluoraryl)borate magnesium compound NIPPON CATALYTIC CHEM IND (JP) 2010-09-15 EP claimed
US-7205441-B2 Method for producing tetrakis (fluoroaryl) borate-magnesium compound NIPPON SHOKUBAI CO., LTD. (JP) 2007-04-17 US claimed
CN-1197841-C Process for producing halogenated phenyl malonic ester AMERICAN CYANAMID CO (US) 2005-04-20 CN claimed
EP-1002788-B1 Process for preparing halogenated phenylmalonates BASF AG (DE) 2004-03-10 EP claimed
US-20030216598-A1 Method for producing tetrakis ( fluoroaryl) borate-magnesium compound NIPPON SHOKUBAI CO., LTD. (JP) 2003-11-20 US claimed
EP-1362860-A1 Method for producing tetrakis (fluoroaryl) borate magnesium compound Nippon Shokubai Co., Ltd. (JP) 2003-11-19 EP claimed
US-6156925-A Process for the preparation of halogenated phenylmaloates AMERICAN CYANAMID COMPANY (US) 2000-12-05 US claimed
EP-1002788-A1 Process for preparing halogenated phenylmalonates American Cyanamid Company (US) 2000-05-24 EP claimed
CN-1250044-A Process for producing halogenated phenyl malonic ester AMERICAN CYANAMID CO (US) 2000-04-12 CN claimed
JP-59082323-A None JP disclosed
JP-59082322-A None JP disclosed
JP-S5982323-A TRIFLUOROBENZENE DERIVATIVE CHISSO CORP 1984-05-12 JP disclosed
JP-S5982322-A TRIFLUOROBENZENE DERIVATIVE CHISSO CORP 1984-05-12 JP disclosed
US-4064139-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE MERCK & CO., INC. (US) 1977-12-20 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 (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-20030216598-A1 Method for producing tetrakis ( fluoroaryl) borate-magnesium compound KRAS, MGAM, CA3 KDM1A 4098/4885KDM1B 3691/4885CES2 3957/4885

“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.