SCHEMBL1893480

SCHEMBL1893480

CCCCOC(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ESR1 P03372 5/20 0.53
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL19795490 0.90 ALDH1A1 (0.55) TSHRTDP1L3MBTL1ESR1CYP3A4
SCHEMBL9414652 0.89 ESR1 (0.60) TSHRTDP1L3MBTL1ESR1CYP3A4
SCHEMBL7595773 0.88 TSHR (0.51) TSHRTDP1L3MBTL1ESR1CYP3A4
SCHEMBL7591679 0.86 ESR1 (0.55) TSHRTDP1L3MBTL1ESR1CYP3A4
SCHEMBL7590661 0.83 TSHR (0.53) TSHRTDP1L3MBTL1ESR1CYP3A4
SCHEMBL7590153 0.83 TSHR (0.50) TSHRTDP1L3MBTL1ESR1CYP3A4
SCHEMBL9414654 0.83 TSHR (0.47) TSHRTDP1L3MBTL1ESR1CYP3A4
SCHEMBL2001481 0.82 TSHR (0.52) TSHRTDP1L3MBTL1MAPK1TP53
SCHEMBL7592390 0.81 ESR1 (0.55) TSHRTDP1L3MBTL1ESR1CYP3A4
SCHEMBL9244541 0.81 CYP1A2 (0.65) TSHRTDP1L3MBTL1ESR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399710-B2 Alkali metal fluoride dispersion and process for producing fluorine-containing organic compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20130060032-A1 POTASSIUM FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME HAGIYA KOJI (JP) 2013-03-07 US disclosed
EP-1698606-B1 FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME SUMITOMO CHEMICAL CO (JP) 2013-02-20 EP disclosed
US-8350091-B2 Potassium fluoride dispersion and process for producing fluorine-containing organic compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
EP-2471741-A1 Potassium Fluoride Sumitomo Chemical Company, Limited (JP) 2012-07-04 EP disclosed
US-20120097891-A1 POTASSIUM FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US disclosed
US-20110112321-A1 ALKALI METAL FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-7939697-B2 Fluorinating agent and method for producing fluorine-containing compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
EP-2192087-A1 ALKALI METAL FLUORIDE DISPERSION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
US-20090287025-A1 Fluorinating agent and method for producing fluorine-containing compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-11-19 US disclosed
US-7569703-B2 Fluorinating agent and method for producing fluorine-containing compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-04 US disclosed
US-20090099387-A1 POTASSIUM FLUORIDE DISPERSION SOLUTION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-16 US disclosed
EP-2011764-A1 POTASSIUM FLUORIDE DISPERSION SOLUTION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-01-07 EP disclosed
US-20070135634-A1 Fluorinating agent and method for producing fluorine-containing compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2007-06-14 US disclosed
EP-1698606-A1 FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME Sumitomo Chemical Company, Limited (JP) 2006-09-06 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 (3 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-20070135634-A1 Fluorinating agent and method for producing fluorine-containing compound using the same AFF1, AFF2, AFF4 TSHR 379/4885TDP1 1896/4885L3MBTL1 290/4885
US-20090287025-A1 Fluorinating agent and method for producing fluorine-containing compound using the same AFF1, AFF2, AFF4 TSHR 379/4885TDP1 1896/4885L3MBTL1 290/4885
US-20110112321-A1 ALKALI METAL FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME AFF1, AFF4, AFF2 TSHR 1355/4885TDP1 669/4885L3MBTL1 1387/4885

“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.