SCHEMBL9927800

SCHEMBL9927800

CCCCCC1CCC(c2ccc(C3CCC(c4ccc(CCC)cc4)OC3)c(F)c2F)CO1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
SPHK1 Q9NYA1 15/20 0.37
SPHK2 Q9NRA0 9/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9927693 0.84 CYP2C9 (0.36) ALOX5SPHK1ALDH1A1
SCHEMBL9927789 0.83 ALOX5 (0.50) ALOX5SPHK1SPHK2ALDH1A1
SCHEMBL10551387 0.83 ALOX5 (0.60) ALOX5SPHK1SPHK2EPHX1ALDH1A1
SCHEMBL9927796 0.83 SPHK1 (0.49) ALOX5SPHK1SPHK2
SCHEMBL9927506 0.82 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL9927694 0.82 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL10551348 0.81 ALOX5 (0.59) ALOX5SPHK1SPHK2EPHX1ALDH1A1
SCHEMBL10552557 0.81 ALOX5 (0.59) ALOX5SPHK1SPHK2EPHX1ALDH1A1
SCHEMBL10553658 0.81 ALOX5 (0.59) ALOX5SPHK1SPHK2EPHX1ALDH1A1
SCHEMBL15340279 0.81 SPHK1 (0.33) SPHK1SPHK2

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 ALOX5 2655/4885SPHK1 969/4885SPHK2 902/4885

“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.