SCHEMBL1248437

SCHEMBL1248437

Oc1ccc2ccc(F)c(F)c2c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.44
ESR2 Q92731 8/20 0.44
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33

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
SCHEMBL12856668 0.80 ESR1 (0.40) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL26705390 0.79 GPR84 (0.38) CES2CES1
SCHEMBL6488214 0.77 MAPT (0.46) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL30033048 0.77 ALDH1A1 (0.45) CA6KDM4ENPC1MAPTMAPK1
SCHEMBL12189899 0.77 ALDH1A1 (0.45) CA6KDM4ENPC1MAPTMAPK1
SCHEMBL155976 0.76 CES2 (0.46) ESR1ESR2CA3CA6CA5A
SCHEMBL5510375 0.74 ESR1 (0.42) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL8597374 0.74 CES2 (0.44) ESR1ESR2CA3CA6CA5A
SCHEMBL14513491 0.71 ALDH1A1 (0.37) L3MBTL1
SCHEMBL25040847 0.71 ESR1 (0.40) ESR1ESR2CA3CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP claimed
US-9347002-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-05-24 US disclosed
CN-101550071-B Manufacturing method of 1,7,8-trifluoro-2-naphthol DAINIPPON INK & CHEMICALS 2013-08-07 CN disclosed
CN-101550071-B Manufacturing method of 1,7,8-trifluoro-2-naphthol DAINIPPON INK & CHEMICALS 2013-08-07 CN disclosed
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP disclosed
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP disclosed
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP disclosed
JP-2010248146-A METHOD OF PRODUCING 1,7,8-TRIFLUORO-2-NAPHTHOL DERIVATIVE SAGAMI CHEMICAL RESEARCH INSTITUTE 2010-11-04 JP disclosed
JP-2010248145-A 2-ACYLOXY-1,7,8-TRIFLUORONAPHTHALENE DERIVATIVE, AND METHOD OF PRODUCING THE SAME SAGAMI CHEMICAL RESEARCH INSTITUTE 2010-11-04 JP disclosed
JP-2010248144-A 2-(2,3-DIFLUORO-6-VINYLPHENYL)ACETIC ACID DERIVATIVE, AND METHOD OF PRODUCING THE SAME SAGAMI CHEMICAL RESEARCH INSTITUTE 2010-11-04 JP disclosed
US-7214835-B2 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK & CHEMICALS, INC. (JP) 2007-05-08 US disclosed
US-7214835-B2 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK & CHEMICALS, INC. (JP) 2007-05-08 US disclosed
US-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
US-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
CN-1684933-A 1,7, 8-trifluoro-2-naphthol and method for preparing liquid crystal compound using the same DAINIPPON INK & CHEMICALS CO L (JP) 2005-10-19 CN disclosed
CN-1684933-A 1,7, 8-trifluoro-2-naphthol and method for preparing liquid crystal compound using the same DAINIPPON INK & CHEMICALS CO L (JP) 2005-10-19 CN disclosed
EP-1544187-A1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND USING SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-06-22 EP disclosed
EP-1544187-A1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND USING SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-06-22 EP disclosed
JP-2004137258-A 1, 7, 8-TRIFLUORO-2-NAPHTHOL AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND BY USING THE SAME DAINIPPON INK & CHEM INC 2004-05-13 JP disclosed
WO-2004029015-A1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND USING SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-04-08 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-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same NOC2L, SNX2, NEFM ESR1 4766/4885ESR2 4577/4885CYP17A1 272/4885

“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.