SCHEMBL9898893

SCHEMBL9898893

CCCCC[C@H]1CC[C@H](C(O)CCC(C(=O)OC(C)(C)C)[C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
PPARG P37231 1/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
HPGD P15428 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
SCHEMBL9898896 1.00 CNR2 (0.34) CNR2PPARGALOX5APFEN1HPGD
SCHEMBL9898588 0.86 PTGER1 (0.33) CNR2ALOX5APFEN1
SCHEMBL9927501 0.84
SCHEMBL30450387 0.79 MAPT (0.36) HPGD
SCHEMBL1574929 0.79 MAPT (0.36) HPGD
SCHEMBL7728037 0.79 MAPT (0.36) HPGD
SCHEMBL3269906 0.79 MAPT (0.36) HPGD
SCHEMBL7728041 0.79 MAPT (0.36) HPGD
SCHEMBL7728045 0.79 MAPT (0.36) HPGD
SCHEMBL2604707 0.79 MAPT (0.36) HPGD

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 CNR2 305/4885PPARG 2670/4885ALOX5AP 3123/4885

“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.