SCHEMBL9927598

SCHEMBL9927598

CCCc1ccc(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)OC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.36
ALOX5 P09917 1/20 0.35
FPR2 P25090 7/20 0.35
SPHK1 Q9NYA1 2/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
KDM1A O60341 2/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL9927566 1.00 FFAR4 (0.36) FFAR4ALOX5FPR2SPHK1GABRA1
SCHEMBL12023648 0.88 ALOX5 (0.37) FFAR4ALOX5FPR2SPHK1KDM1A
SCHEMBL12023523 0.88 FPR2 (0.34) FFAR4ALOX5FPR2KDM1A
SCHEMBL9927554 0.86 FPR2 (0.33) FFAR4ALOX5FPR2KDM1A
SCHEMBL9927704 0.85 ALOX5 (0.33) FFAR4ALOX5SPHK1S1PR1
SCHEMBL12759388 0.83 ALOX5 (0.45) ALOX5SPHK1KDM1A
SCHEMBL18718221 0.82 ALOX5 (0.39) FFAR4ALOX5FPR2KDM1A
SCHEMBL9927613 0.82 FPR2 (0.35) FPR2
SCHEMBL9927581 0.82 FPR2 (0.35) FPR2SPHK1
SCHEMBL9927571 0.81 SPHK1 (0.38) FPR2SPHK1

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 FFAR4 1322/4885ALOX5 2655/4885FPR2 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.