SCHEMBL9900563

SCHEMBL9900563

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CC[C@H](c4ccc(OCC)c(F)c4F)CC3)CC2)CO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL9927502 1.00 EPHX1 (0.34) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL9927615 0.92 FPR2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL9899688 0.92 FPR2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL12136706 0.92 FPR2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL5819982 0.91 EPHX1 (0.37) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5815956 0.91 EPHX1 (0.37) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5820344 0.90 EPHX1 (0.33) EPHX1ALDH1A1
SCHEMBL14961044 0.88
SCHEMBL14961094 0.88 QPCT (0.30)
SCHEMBL12023950 0.88 FPR2 (0.34)

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 4 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
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

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 EPHX1 1495/4885ALDH1A1 686/4885SLC6A2 4520/4885

“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.