SCHEMBL1246942

SCHEMBL1246942

Oc1ccc2ccc(F)c(F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.50
ESR2 Q92731 12/20 0.50
CYP17A1 P05093 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.41
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL7925571 0.84 ESR1 (0.52) ESR1ESR2CYP3A4MEN1KMT2A
SCHEMBL30022727 0.84 ESR1 (0.52) ESR1ESR2CYP3A4MEN1KMT2A
SCHEMBL670670 0.77 CYP1A2 (0.52) ESR1ESR2CYP17A1CYP3A4CYP11B1
Formic Acid SCHEMBL30464838 0.77 ESR1 (0.45) ESR1ESR2MEN1KMT2ACYP1A2
SCHEMBL8591811 0.76 CA3 (0.42) KMT2ACYP1A2
SCHEMBL4542359 0.76 KDM4E (0.57) ESR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL5514088 0.76 ESR1 (0.49) ESR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL30584082 0.75 ESR1 (0.41) ESR1ESR2CYP1A2
SCHEMBL20719715 0.73 ESR1 (0.66) ESR1ESR2
SCHEMBL5514197 0.73 ESR1 (0.66) ESR1ESR2CYP1A2

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 15 patents. 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-9518222-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-13 US disclosed
US-9518222-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-13 US disclosed
US-9347002-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-05-24 US disclosed
US-20160046864-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-18 US disclosed
US-20160046864-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-18 US 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
CN-101693648-A Preparation method of 1, 7, 8- trifluoro-2- naphthol and derivative thereof UNIV NANKAI 2010-04-14 CN disclosed
JP-2007320932-A METHOD FOR PRODUCING BETA-NAPHTHOL COMPOUNDS IHARA CHEM IND CO LTD 2007-12-13 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-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
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

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-20160046864-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, YBX1, LEF1 ESR1 2842/4885ESR2 3855/4885CYP17A1 2089/4885
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.