SCHEMBL9899628

SCHEMBL9899628

CCOc1ccc(-c2ccc(C3CCO3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
FPR2 P25090 4/20 0.36
FGFR2 P21802 2/20 0.34
FGFR1 P11362 1/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PTPRC P08575 1/20 0.33

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
SCHEMBL13198469 0.84 FASN (0.40) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL9927669 0.83 FASN (0.42) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL13579371 0.82 FPR2 (0.34) KDM1AFPR2
SCHEMBL13579521 0.82 FPR2 (0.34) KDM1AFPR2
SCHEMBL20111482 0.82 PRKAG1 (0.39) KDM1AFGFR2PRKAB2PRKAG1PRKAA2
SCHEMBL19466413 0.82 KDM1A (0.35) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL13579372 0.81 FPR2 (0.33) KDM1AFPR2
SCHEMBL13579523 0.81 FPR2 (0.33) KDM1AFPR2
SCHEMBL12032722 0.81 SLC6A2 (0.38) KDM1AFPR2FGFR2FGFR1FFAR4
SCHEMBL9898150 0.81 FASN (0.35) KDM1AFPR2FFAR4GRIN1GRIN2B

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 KDM1A 2319/4885FPR2 442/4885FGFR2 253/4885

“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.