SCHEMBL16626972

SCHEMBL16626972

OCc1ccc(-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
ERN1 O75460 1/20 0.46
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PDK2 Q15119 1/20 0.35
LIMK1 P53667 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL17083204 0.81 ESR1 (0.64) KIF11ESR1ESR2HSD17B1HSD17B2
SCHEMBL14525987 0.81 MCL1 (0.40) ESR1ESR2CYP11B1CYP17A1TAAR1
SCHEMBL15088587 0.80 CHKA (0.36) KIF11ESR1ESR2HSD17B1HSD17B2
SCHEMBL18137076 0.77 ESR1 (0.42) ERN1ESR1ESR2HSD17B1HSD17B2
SCHEMBL15088582 0.77 HSD17B1 (0.37) KIF11ESR1ESR2HSD17B1HSD17B2
SCHEMBL15725297 0.76 KIF11 (0.59) KIF11ERN1PRKAB2PRKAG1PRKAA2
SCHEMBL14152972 0.76 KIF11 (0.59) KIF11ERN1PRKAB2PRKAG1PRKAA2
SCHEMBL20209578 0.76 TAAR1 (0.43) ESR1ESR2HSD17B1HSD17B2CHEK1
SCHEMBL15088584 0.75 ESR1 (0.35) KIF11ESR1ESR2TAAR1
SCHEMBL28587584 0.75 NOS3 (0.33) ESR1ESR2CYP11B1CYP17A1TAAR1

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 184/4885ERN1 1652/4885ESR1 3184/4885

“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.