SCHEMBL5459115

SCHEMBL5459115

FC(F)(F)c1cc([Mg]Cl)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
IDO1 P14902 2/20 0.38
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR35 Q9HC97 3/20 0.35
ADRB1 P08588 1/20 0.34
MAPT P10636 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 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
SCHEMBL40035 0.79 TSHR (0.48) CES2IDO1TSHRALDH1A1TDP1
SCHEMBL440959 0.78 CES2 (0.58) CES2IDO1TSHRALDH1A1CYP3A4
SCHEMBL432591 0.76 CES2 (0.41) CES2IDO1TSHRALDH1A1CYP3A4
SCHEMBL3126195 0.76 ALDH1A1 (0.43) CES2TSHRALDH1A1
SCHEMBL5599436 0.76 CES2 (0.41) CES2IDO1TSHRALDH1A1CYP3A4
SCHEMBL3162653 0.76 GABRA1 (0.46) TSHRALDH1A1HPGDALOX15TDP1
Hydrochloric Acid SCHEMBL30732529 0.72 KIF11 (0.43) CES2TSHRALDH1A1
SCHEMBL11600999 0.71 CES2 (0.46) CES2IDO1TSHRALDH1A1CYP3A4
SCHEMBL11683794 0.71 CES2 (0.46) CES2IDO1TSHRALDH1A1CYP3A4
SCHEMBL3786224 0.71 RAPGEF4 (0.47) CES2IDO1TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486912-A Process method for synthesizing sodium tetra (3, 5-bis (trifluoromethyl) phenyl) borate 大连双硼医药化工有限公司 2024-02-02 CN claimed
EP-1673329-B1 PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL MITENI SPA (IT) 2007-09-12 EP claimed
US-20070135662-A1 Process for the preparation of 3,5- bis(trifluoromethyl)benzylalcohol MITENI S.P.A. (IT) 2007-06-14 US claimed
CN-117486912-A Process method for synthesizing sodium tetra (3, 5-bis (trifluoromethyl) phenyl) borate 大连双硼医药化工有限公司 2024-02-02 CN disclosed
US-9834569-B2 Process for producing tetrakis(Faryl)borate salts ALBEMARLE CORPORATION (US) 2017-12-05 US disclosed
US-20170313725-A1 Process For Producing Tetrakis(F aryl)Borate Salts W. R. GRACE & CO-CONN. 2017-11-02 US disclosed
US-9738662-B2 Process for producing tetrakis(F aryl)borate salts ALBEMARLE CORPORATION (US) 2017-08-22 US disclosed
EP-2925766-B1 PROCESS FOR PRODUCING TETRAKIS(F ARYL)BORATE SALTS ALBEMARLE CORP (US) 2016-07-13 EP disclosed
EP-2925766-A1 PROCESS FOR PRODUCING TETRAKIS(F ARYL)BORATE SALTS Albemarle Corporation (US) 2015-10-07 EP disclosed
US-20150259362-A1 Process For Producing Tetrakis(F aryl)Borate Salts W. R. GRACE & CO.-CONN. 2015-09-17 US disclosed
US-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
WO-2014085058-A1 PROCESS FOR PRODUCING TETRAKIS(FARYL)BORATE SALTS ALBEMARLE CORPORATION (US) 2014-06-05 WO disclosed
EP-1673329-B1 PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL MITENI SPA (IT) 2007-09-12 EP disclosed
US-20070135662-A1 Process for the preparation of 3,5- bis(trifluoromethyl)benzylalcohol MITENI S.P.A. (IT) 2007-06-14 US disclosed
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
EP-1673329-A1 PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL MITENI S.p.A. (IT) 2006-06-28 EP disclosed
WO-2005035472-A1 PROCESS FOR THE PREPARATION 3,5-BIS(TRIFLUOROMETHYL)BENZYLALCOHOL MITENI S.P.A. (IT) 2005-04-21 WO disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 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 (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-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 CES2 844/4885IDO1 136/4885TSHR 1588/4885
US-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND HSD17B7, BCKDK, HSD11B1 CES2 690/4885IDO1 3687/4885TSHR 1819/4885

“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.