SCHEMBL83629

SCHEMBL83629

Oc1ccc2c(F)c(F)c(F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.43
ESR2 Q92731 10/20 0.43
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B3 P37058 1/20 0.40
AR P10275 1/20 0.39
AKR1C3 P42330 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 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
SCHEMBL5518748 0.85 ESR1 (0.48) ESR1ESR2ALOX15HSD17B10KDM4E
SCHEMBL17083204 0.84 ESR1 (0.64) ESR1ESR2HSD17B1HSD17B2
SCHEMBL17075741 0.82 ESR1 (0.65) ESR1ESR2HSD17B1HSD17B2
SCHEMBL5509999 0.82 ESR1 (0.40) ESR1ESR2ALOX15HSD17B10KDM4E
Betanaphthol SCHEMBL28305413 0.81 CYP1A2 (0.59) ESR1ESR2KDM4EALDH1A1MAPT
SCHEMBL5513218 0.79 ESR1 (0.41) ESR1ESR2ALOX15HSD17B10HSD17B3
SCHEMBL7925571 0.78 ESR1 (0.52) ESR1ESR2ALOX15HSD17B10LMNA
SCHEMBL30022727 0.78 ESR1 (0.52) ESR1ESR2ALOX15HSD17B10LMNA
SCHEMBL31194916 0.77 ESR1 (0.38) ESR1ESR2ALOX15HSD17B10KDM4E
SCHEMBL31323038 0.77 ESR1 (0.45) ESR1ESR2ALOX15HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637466-B2 Liquid crystal compound having 2, 6-difluorophenyl ether structure and liquid crystal composition thereof DIC CORPORATION (JP) 2017-05-02 US disclosed
US-9637466-B2 Liquid crystal compound having 2, 6-difluorophenyl ether structure and liquid crystal composition thereof DIC CORPORATION (JP) 2017-05-02 US disclosed
US-9637466-B2 Liquid crystal compound having 2, 6-difluorophenyl ether structure and liquid crystal composition thereof DIC CORPORATION (JP) 2017-05-02 US disclosed
CN-105308028-B Liquid crystalline compound having 2, 6-difluorophenyl ether structure and liquid crystal composition thereof DIC株式会社 2017-04-05 CN 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-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
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 US disclosed
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 US disclosed
CN-103906727-A Compound having 2-fluorophenyloxymethane structure DAINIPPON INK & CHEMICALS 2014-07-02 CN disclosed
WO-2014057780-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF SAID COMPOUND DIC株式会社 (JP) 2014-04-17 WO disclosed
CN-103717563-A Compound with 2-fluorophenyloxymethane structure DAINIPPON INK & CHEMICALS 2014-04-09 CN disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 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-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE INF2, CFL1, CFD ESR1 3566/4885ESR2 4385/4885ALOX15 1276/4885
US-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME FGFR2, FGFR1, FGF2 ESR1 3184/4885ESR2 3816/4885ALOX15 2237/4885

“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.