SCHEMBL16626971

SCHEMBL16626971

O=Cc1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
DRD1 P21728 2/20 0.39
ERN1 O75460 4/20 0.38
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2A6 P11509 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
PTGER4 P35408 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
SCHEMBL17783289 0.86 CYP2A6 (0.39) KIF11KDM4EMEN1KMT2AALDH1A1
SCHEMBL16626973 0.79 MAOA (0.37) KIF11ESR1ESR2ERN1KDM4E
SCHEMBL17083204 0.77 ESR1 (0.64) KIF11ESR1ESR2MEN1KMT2A
SCHEMBL18137076 0.77 ESR1 (0.42) ESR1ESR2ERN1KDM4EMEN1
SCHEMBL16037967 0.76 KIF11 (0.59) KIF11DRD1ERN1PTGS1ALDH1A1
SCHEMBL16626972 0.73 KIF11 (0.49) KIF11ESR1ESR2ERN1PTGS1
SCHEMBL17831342 0.72 KIF11 (0.56) KIF11ESR1ESR2DRD1ERN1
SCHEMBL3457040 0.72 KIF11 (0.65) KIF11DRD1ERN1PTGS1TRIM24
SCHEMBL16055912 0.72 KIF11 (0.46) KIF11ESR1ESR2DRD1KDM4E
SCHEMBL13419515 0.71 HPRT1 (0.38) KIF11ESR1ESR2ERN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573923-B2 Liquid crystal compound having 2, 6-difluorophenylether structure, and liquid crystal composition containing the same DIC CORPORATION (JP) 2017-02-21 US disclosed
US-9573923-B2 Liquid crystal compound having 2, 6-difluorophenylether structure, and liquid crystal composition containing the same DIC CORPORATION (JP) 2017-02-21 US disclosed
US-9573923-B2 Liquid crystal compound having 2, 6-difluorophenylether structure, and liquid crystal composition containing the same DIC CORPORATION (JP) 2017-02-21 US disclosed
US-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DIC CORPORATION (JP) 2016-06-09 US disclosed
US-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DIC CORPORATION (JP) 2016-06-09 US disclosed
US-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DIC CORPORATION (JP) 2016-06-09 US disclosed
WO-2015049940-A1 LIQUID CRYSTALLINE COMPOUND HAVING 2,6-DIFLUOROPHENYL ETHER STRUCTURE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME DIC株式会社 2015-04-09 WO 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-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME FGFR2, FGFR1, FGF2 KIF11 184/4885ESR1 3184/4885ESR2 3816/4885

“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.