SCHEMBL9927684

SCHEMBL9927684

CCCCCC1CCC(C2CCC(c3ccc(-c4ccc(CC)cc4)c(F)c3F)CO2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL9927685 0.86
SCHEMBL18779735 0.86 GAA (0.35) GAAMAPTCHRM2CHRM4CHRM5
SCHEMBL9927759 0.85 GAA (0.31) GAAMAPT
SCHEMBL9927707 0.85 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9927681 0.84 MAPT (0.34) GAAMAPT
SCHEMBL16407266 0.83 GAA (0.33) GAAMAPTCHRM2CHRM4CHRM5
SCHEMBL15343846 0.83
SCHEMBL9979278 0.83 GAA (0.32) GAAMAPT
SCHEMBL9927542 0.82 MAPT (0.32) GAAMAPT
SCHEMBL17356643 0.82 GAA (0.30) GAAMAPT

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
EP-2468740-B1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES JNC CORP (JP) 2017-08-02 EP disclosed
US-9663716-B2 Tetrahydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-30 US disclosed
US-9663716-B2 Tetrahydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-30 US disclosed
EP-2468740-A1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS JNC Corporation (JP) 2012-06-27 EP disclosed
US-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 US disclosed
US-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 US disclosed
WO-2011021534-A1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS チッソ株式会社 (JP) 2011-02-24 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-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CCND1, CCND2 GAA 4777/4885MAPT 3281/4885CHRM2 2094/4885

“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.