SCHEMBL9927676

SCHEMBL9927676

CCCC1CCC(c2ncc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cn2)OC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
FPR2 P25090 6/20 0.34
FASN P49327 1/20 0.34
FGFR2 P21802 2/20 0.32
FGFR1 P11362 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
S1PR1 P21453 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
SCHEMBL9927669 0.87 FASN (0.42) GRIN1GRIN2BFPR2FASNFGFR2
SCHEMBL13198469 0.86 FASN (0.40) GRIN1GRIN2BFPR2FASNFGFR2
SCHEMBL8942055 0.85 FASN (0.34) GRIN1GRIN2BFPR2FASNFGFR2
SCHEMBL9927677 0.85 FPR2 (0.35) GRIN1GRIN2BFPR2FASNFGFR2
SCHEMBL9927679 0.83 FPR2 (0.35) GRIN1GRIN2BFPR2FASNFGFR2
SCHEMBL9927678 0.83 GRIN1 (0.35) GRIN1GRIN2BFPR2FGFR2FGFR1
SCHEMBL8940928 0.83 GRIN1 (0.35) GRIN1GRIN2BFPR2FASNFGFR2
SCHEMBL8939579 0.82 KDM1A (0.37) GRIN1GRIN2BFPR2FASNFGFR2
SCHEMBL9927640 0.81 FPR2 (0.35) GRIN1GRIN2BFPR2FGFR2FGFR1
SCHEMBL9927657 0.81 GRIN1 (0.35) GRIN1GRIN2BFPR2FGFR2FGFR1

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 GRIN1 838/4885GRIN2B 677/4885FPR2 442/4885

“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.