SCHEMBL756609

SCHEMBL756609

COc1ccc([I+](c2ccccc2)C(F)(F)S(=O)(=O)OF)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
CA4 P22748 1/20 0.37
HTT P42858 1/20 0.37
LTA4H P09960 1/20 0.37
MMP1 P03956 2/20 0.36
MMP13 P45452 2/20 0.36
PPARG P37231 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PKM P14618 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 2/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL758915 0.87 CA1 (0.34)
SCHEMBL4578413 0.77 CA4 (0.48) CA4LTA4HCES2CES1ALDH1A1
SCHEMBL361657 0.76 KMT2A (0.40) KMT2AGAACA4HTTLTA4H
SCHEMBL1263662 0.75 CA1 (0.39) KMT2AGAAHTTALDH1A1MAPT
SCHEMBL2514635 0.73 CES2 (0.42) GAACA4HTTLTA4HCES2
SCHEMBL756008 0.72 GAA (0.45) KMT2AGAAHTTMMP1MMP13
SCHEMBL5477402 0.70 PKM (0.41) KMT2AGAAMMP1MMP13PKM
SCHEMBL1804139 0.70 GAA (0.35) KMT2AGAACA4HTTLTA4H
SCHEMBL1800748 0.69 CA1 (0.34) KMT2AGAACA4HTTLTA4H
Biphenyl SCHEMBL115843 0.68 BACE1 (0.53) KMT2AGAACA4HTTLTA4H

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2302015-B1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT JNC CORP (JP) 2016-10-05 EP disclosed
EP-2360229-B1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC CORP (JP) 2016-08-31 EP disclosed
US-8586153-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-8586803-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-20130289316-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORP (JP) 2013-10-31 US disclosed
US-8501285-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-08-06 US disclosed
US-8475887-B2 Optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-07-02 US disclosed
US-20130088658-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-11 US disclosed
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-04 US disclosed
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 US disclosed
EP-2433923-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL ELEMENT JNC Corporation (JP) 2012-03-28 EP disclosed
EP-2098583-B1 Optically isotropic liquid crystal medium and optical device JNC CORP (JP) 2012-03-21 EP disclosed
US-20110242473-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORPORATION (JP) 2011-10-06 US disclosed
EP-2360229-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC Corporation (JP) 2011-08-24 EP disclosed
EP-2302015-A1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT Chisso Corporation (JP) 2011-03-30 EP disclosed
US-20110069245-A1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT CHISSO PETROCHEMICAL CORPORATION (JP) 2011-03-24 US disclosed
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
US-7722783-B2 Optically isotropic liquid crystal medium and optical device CHISSO CORPORATION (JP) 2010-05-25 US disclosed
EP-2098583-A2 Optically isotropic liquid crystal medium and optical device Chisso Corporation (JP) 2009-09-09 EP disclosed
US-20090135368-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2009-05-28 US 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-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE DDT, BRAF, CFAP410 KMT2A 3429/4885GAA 4432/4885CA4 791/4885
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE DDT, BRAF, LEF1 KMT2A 3306/4885GAA 4270/4885CA4 940/4885

“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.