SCHEMBL2606306

SCHEMBL2606306

CCCC1CCC(c2ccc(C3CO3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRL1 P41146 16/20 0.36
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL12821240 1.00 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3576039 0.96 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10051625 0.96 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12836498 0.94 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3579208 0.91 GAA (0.37) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9015837 0.91 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12822719 0.91 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12823381 0.91 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13126282 0.89 OPRL1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12024510 0.88 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120292568-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT MANUFACTURED USING THE SAME DIC CORPORATION (JP) 2012-11-22 US disclosed
US-8273421-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2012-09-25 US disclosed
US-20120181479-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-19 US disclosed
US-8182717-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2012-05-22 US disclosed
US-20120097895-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2012-04-26 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20110272631-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-11-10 US disclosed
US-20110253933-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed
US-20110198536-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-08-18 US disclosed
US-20110037912-A1 Liquid Crystal Composition and Liquid Crystal Display Device CHISSO CORPORATION (JP) 2011-02-17 US disclosed
US-7718232-B2 Nematic liquid crystal composition and liquid crystal display element that used the composition DAINIPPON INK & CHEMICAL, INC. (JP) 2010-05-18 US disclosed
US-7651630-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2010-01-26 US disclosed
US-20090278089-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US disclosed
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-10-22 US disclosed
US-7569258-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-08-04 US disclosed
US-7517565-B2 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2009-04-14 US disclosed
US-20090050843-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-02-26 US disclosed
EP-1591513-B1 NEMATIC LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT EMPLOYING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-07-02 EP disclosed
US-20080149889-A1 Nematic Liquid Crystal Composition and Liquid Crystal Display Element That Used the Composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-06-26 US disclosed
US-20080111107-A1 Nematic Liquid Crystal Composition And Liquid Crystal Display Device Using The Same DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-05-15 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 (5 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-20090050843-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME HCN2, TRPV2, TRPV5 CYP2C9 4322/4885ALDH1A1 4062/4885LMNA 2613/4885
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CCND3, CCND1, SLFN12 CYP2C9 2402/4885ALDH1A1 2030/4885LMNA 1893/4885
US-20090278089-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE VCL, NLK, LASP1 CYP2C9 3815/4885ALDH1A1 3947/4885LMNA 1033/4885
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 CYP2C9 3278/4885ALDH1A1 1348/4885LMNA 301/4885
US-20080111107-A1 Nematic Liquid Crystal Composition And Liquid Crystal Display Device Using The Same PIEZO1, KIF20B, VCL CYP2C9 4703/4885ALDH1A1 2542/4885LMNA 1459/4885

“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.