SCHEMBL3194447

SCHEMBL3194447

[O]c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
ALDH1A1 P00352 2/20 0.35
TSHR P16473 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
CACNA1H O95180 2/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
GPR35 Q9HC97 1/20 0.34
NOTUM Q6P988 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
NOS3 P29474 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
SCHEMBL11603910 0.77 CES2 (0.43) CES2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL15933661 0.74 CES2 (0.41) CES2ALDH1A1TSHRCACNA1HCACNA1B
SCHEMBL6756054 0.74 CES2 (0.41) CES2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL16554203 0.72 CES2 (0.40) CES2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL6537458 0.72 CES2 (0.40) CES2ALDH1A1TSHRCACNA1HCACNA1B
SCHEMBL23174658 0.72 CES2 (0.40) CES2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL1042998 0.72 CES2 (0.40) CES2ALDH1A1TSHRCACNA1HCACNA1B
SCHEMBL23174646 0.72 CES2 (0.40) CES2ALDH1A1TSHRCYP3A4HPGD
SCHEMBL3190814 0.72 CES2 (0.40) CES2CACNA1HCACNA1BCACNA1CNOTUM
SCHEMBL3174890 0.72 CES2 (0.40) CES2ALDH1A1TSHRCYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-10124326-B2 Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization reaction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-11-13 US disclosed
US-20170225155-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIOGOMERIZATION REACTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-10 US disclosed
EP-3202822-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIGOMERIZATION REACTION Sumitomo Chemical Company Limited (JP) 2017-08-09 EP disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 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 (5 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-20170225155-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIOGOMERIZATION REACTION OGFR, GFER, ITGB7 CES2 3761/4885ALDH1A1 1064/4885TSHR 1141/4885
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 CES2 3287/4885ALDH1A1 3087/4885TSHR 4396/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CES2 1419/4885ALDH1A1 151/4885TSHR 648/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CES2 1419/4885ALDH1A1 151/4885TSHR 648/4885
US-10124326-B2 Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization reaction GFER, OGFR, TECR CES2 3575/4885ALDH1A1 1567/4885TSHR 1368/4885

“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.