SCHEMBL9927746

SCHEMBL9927746

CCCCC1CCC(C2CCC(c3ccc(C4CCC(CC)CC4)c(F)c3F)CC2)OC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9927681 0.91 MAPT (0.34) MEN1GAAKMT2AMAPT
SCHEMBL9927751 0.88 GAA (0.31) GAAMAPT
SCHEMBL9927745 0.88 CYP2C9 (0.35) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL9927650 0.86 OPRL1 (0.31) GAAMAPT
SCHEMBL9927762 0.86
SCHEMBL9927756 0.84 FASN (0.30) CYP2C9
SCHEMBL9927697 0.84 OPRL1 (0.32) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL9899109 0.84 GAA (0.30) GAAMAPT
SCHEMBL9927645 0.84 GAA (0.30) GAAMAPT
SCHEMBL9899108 0.84 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 MEN1 2107/4885GAA 4777/4885MAPK1 1400/4885

“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.