SCHEMBL9927778

SCHEMBL9927778

CCCCCC1CCC(C2CCC(c3ccc(C4CCC(CCC)OC4)c(F)c3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
OPRL1 P41146 6/20 0.34
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX5 P09917 1/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PPARG P37231 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
SCHEMBL9927777 0.93 OPRL1 (0.36) MAPTOPRL1ALDH1A1MEN1KMT2A
SCHEMBL12024320 0.88 GAA (0.34) MAPTGAAOPRL1MEN1KMT2A
SCHEMBL9927714 0.88 OPRL1 (0.35) MAPTOPRL1ALDH1A1MEN1KMT2A
SCHEMBL9927729 0.88 ALOX5 (0.35) OPRL1ALOX5
SCHEMBL9927782 0.88 EPHX1 (0.34) MAPTGAAOPRL1EPHX1ALDH1A1
SCHEMBL15340032 0.87 OPRL1 (0.34) MAPTGAAOPRL1EPHX1MEN1
SCHEMBL22277602 0.86 GAA (0.31) MAPTGAA
SCHEMBL9927715 0.86 EPHX1 (0.36) MAPTGAAOPRL1EPHX1ALDH1A1
SCHEMBL15340291 0.86 OPRL1 (0.37) MAPTOPRL1ALDH1A1MEN1KMT2A
SCHEMBL9927783 0.85 OPRL1 (0.31) MAPTOPRL1ALDH1A1MEN1KMT2A

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 MAPT 3281/4885GAA 4777/4885OPRL1 2944/4885

“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.