SCHEMBL6459593

SCHEMBL6459593

CCCC1CCC2CC(c3ccc(F)c(F)c3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
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
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CCR2 P41597 1/20 0.34
USP30 Q70CQ3 1/20 0.33
KDM1A O60341 4/20 0.32
TLR4 O00206 1/20 0.32
MAOB P27338 1/20 0.32
USP5 P45974 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HCRTR2 O43614 1/20 0.31

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
SCHEMBL6459589 1.00 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12032010 0.94 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12032222 0.94 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5687033 0.93 MEN1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5687029 0.93 MEN1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6454102 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14525709 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6454099 0.93 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12031935 0.91 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6457917 0.91 FASN (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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252202-B2 Nematic liquid crystal composition and bistable nematic liquid crystal display DIC CORPORATION (JP) 2012-08-28 US disclosed
US-8252202-B2 Nematic liquid crystal composition and bistable nematic liquid crystal display DIC CORPORATION (JP) 2012-08-28 US disclosed
US-20110211148-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2011-09-01 US disclosed
US-20110211148-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2011-09-01 US disclosed
US-7871540-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2011-01-18 US disclosed
US-7871540-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2011-01-18 US disclosed
EP-1536270-B1 PHOTOCURABLE COMPOSITION FOR LIQUID-CRYSTAL PANEL SEALING AND LIQUID-CRYSTAL PANEL DAINIPPON INK & CHEMICALS (JP) 2009-12-16 EP disclosed
US-20090050844-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2009-02-26 US disclosed
US-20090050844-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2009-02-26 US disclosed
WO-2008143340-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2008-11-27 WO disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 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 (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-20090050844-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION H1-0, H1-4, H1-10 CYP2C9 2876/4885ALDH1A1 4147/4885LMNA 2712/4885

“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.