SCHEMBL775531

SCHEMBL775531

O=[C]c1c(F)c(F)c(C(F)(F)F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9116623 0.80
SCHEMBL317183 0.76
SCHEMBL312355 0.76 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL9330078 0.74 TSHR (0.32) SMN1; SMN2TSHRKMT2A
SCHEMBL21931937 0.74
Perfluorotoluene SCHEMBL308464 0.73 SMN1; SMN2 (0.41) SMN1; SMN2TSHRMEN1KMT2A
Perfluorotoluene SCHEMBL28760715 0.70 SMN1; SMN2 (0.39) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL3168128 0.70 SMN1; SMN2 (0.39) SMN1; SMN2TSHRMEN1KMT2A
Perfluorotoluene SCHEMBL28273865 0.70 SMN1; SMN2 (0.39) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL6130585 0.70

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
EP-0251041-B1 PROCESS FOR PREPARING 2,3,5,6-TETRAFLUOROBENZOIC ACID AND THE COMPOUNDS 2,3,5,6-TETRACHLORO-4-TRIFLUOROMETHYLBENZOYL CHLORIDE AND 2,3,5,6-TETRAFLUORO-4-TRIFLUOROMETHYLBENZOYL FLUORIDE BAYER AG (DE) 1989-11-08 EP claimed
EP-0251041-A1 Process for preparing 2,3,5,6-tetrafluorobenzoic acid and the compounds 2,3,5,6-tetrachloro-4-trifluoromethylbenzoyl chloride and 2,3,5,6-tetrafluoro-4-trifluoromethylbenzoyl fluoride BAYER AG (DE) 1988-01-07 EP claimed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-8697295-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-04-15 US disclosed
US-20130337318-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-12-19 US disclosed
US-8470829-B2 Imidazolidine derivative and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-06-25 US disclosed
US-20120231330-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-09-13 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
EP-1790640-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-30 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-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CBR1, NR0B1, CNKSR1 SMN1; SMN2 2845/4885TSHR 89/4885MEN1 1708/4885

“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.