SCHEMBL9927787

SCHEMBL9927787

CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3F)nc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.34
ALOX5AP P20292 6/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 3/20 0.32
ALOX5 P09917 1/20 0.31
DGAT1 O75907 1/20 0.31
PDE2A O00408 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
SCHEMBL9927723 0.91 FEN1 (0.36) FEN1ALOX5APKDM1AALOX5
SCHEMBL9927785 0.89 CYP2C9 (0.36) FEN1ALOX5APCYP2C9ALDH1A1LMNA
SCHEMBL9927780 0.85 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9979018 0.84 OPRL1 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9927786 0.82 FEN1 (0.34) FEN1ALOX5AP
SCHEMBL9927805 0.81 FEN1 (0.35) FEN1ALOX5APALOX5
SCHEMBL12024427 0.81 ALOX5 (0.36) ALOX5
SCHEMBL9927794 0.80 ALOX5 (0.36) ALOX5
SCHEMBL9927755 0.80 FEN1 (0.36) FEN1ALOX5APKDM1A
SCHEMBL9927781 0.79 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1

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 FEN1 2491/4885ALOX5AP 3123/4885CYP2C9 733/4885

“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.