SCHEMBL3572087

SCHEMBL3572087

CCCC1CCC(C2CCC(CCc3ccc(C4CO4)c(F)c3F)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
TLR4 O00206 1/20 0.30

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
SCHEMBL3569944 0.96 CEL (0.31) HTR2AHTR2C
SCHEMBL3587670 0.93 CYP1A2 (0.31)
SCHEMBL13454111 0.92 HTR2A (0.31) HTR2AHTR2C
SCHEMBL12822719 0.91 CYP2C9 (0.33)
SCHEMBL12823381 0.91 CYP2C9 (0.33)
SCHEMBL13067305 0.89
SCHEMBL13066800 0.89
SCHEMBL13264337 0.89 CEL (0.33) HTR2AHTR2C
SCHEMBL13264438 0.89 CEL (0.33) HTR2AHTR2C
SCHEMBL13264404 0.89 CEL (0.33) HTR2AHTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120292567-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2012-11-22 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-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-20090050843-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-02-26 US 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 (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-20090050843-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME HCN2, TRPV2, TRPV5 HTR2A 3728/4885HTR2C 3149/4885TLR4 4691/4885
US-20080111107-A1 Nematic Liquid Crystal Composition And Liquid Crystal Display Device Using The Same PIEZO1, KIF20B, VCL HTR2A 1878/4885HTR2C 2306/4885TLR4 4064/4885

“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.