SCHEMBL2935202

SCHEMBL2935202

Fc1cc(Cl)cc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
IDO1 P14902 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Phosphine SCHEMBL28199112 0.97 TSHR (0.44) TSHRCES2CES1ALDH1A1CYP3A4
Hydrogen Sulfide SCHEMBL28100301 0.97 TSHR (0.44) TSHRCES2CES1ALDH1A1CYP3A4
SCHEMBL9421248 0.84 ALDH1A1 (0.45) TSHRCES2CES1ALDH1A1CYP3A4
SCHEMBL8973947 0.81 TSHR (0.50) TSHRALDH1A1CYP3A4TP53IDO1
SCHEMBL1466981 0.80 CYP3A4 (0.40) TSHRALDH1A1CYP3A4TP53HSD17B10
SCHEMBL13550047 0.80 TSHR (0.35) TSHRCES1CYP3A4RAPGEF4MEN1
SCHEMBL22165559 0.80 TSHR (0.35) TSHRCA1CA2CA12CA7
SCHEMBL29429741 0.80 TSHR (0.35) TSHRCA1CA2CA12CA7
SCHEMBL29970978 0.80 TSHR (0.44) TSHRCES2CES1ALDH1A1CYP3A4
SCHEMBL28085542 0.80 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0667328-B1 Process for the preparation of aromatic fluoro compounds CLARIANT GMBH (DE) 1998-09-16 EP claimed
US-5498807-A Process for the preparation of aromatic fluoro compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US claimed
EP-0667328-A1 Process for the preparation of aromatic fluoro compounds HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-16 EP claimed
EP-1362860-B1 Method for producing tetrakis (fluoraryl)borate magnesium compound NIPPON CATALYTIC CHEM IND (JP) 2010-09-15 EP disclosed
US-7205441-B2 Method for producing tetrakis (fluoroaryl) borate-magnesium compound NIPPON SHOKUBAI CO., LTD. (JP) 2007-04-17 US disclosed
US-20030216598-A1 Method for producing tetrakis ( fluoroaryl) borate-magnesium compound NIPPON SHOKUBAI CO., LTD. (JP) 2003-11-20 US disclosed
EP-1362860-A1 Method for producing tetrakis (fluoroaryl) borate magnesium compound Nippon Shokubai Co., Ltd. (JP) 2003-11-19 EP disclosed
CN-1041197-C Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AG (DE) 1998-12-16 CN disclosed
EP-0667328-B1 Process for the preparation of aromatic fluoro compounds CLARIANT GMBH (DE) 1998-09-16 EP disclosed
US-5498807-A Process for the preparation of aromatic fluoro compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
CN-1112917-A Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation HOECHST AG (DE) 1995-12-06 CN disclosed
EP-0667328-A1 Process for the preparation of aromatic fluoro compounds HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-16 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-20030216598-A1 Method for producing tetrakis ( fluoroaryl) borate-magnesium compound KRAS, MGAM, CA3 TSHR 410/4885CES2 3957/4885CES1 4605/4885

“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.