SCHEMBL9979235

SCHEMBL9979235

CCCC1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
OPRL1 P41146 4/20 0.31
S1PR1 P21453 2/20 0.31
KDM1A O60341 2/20 0.30
HTT P42858 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL11917052 0.96 FPR2 (0.35) FPR2CYP2C9ALDH1A1MAPTLMNA
SCHEMBL12706520 0.95 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL1311026 0.95 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL427347 0.95 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL17614853 0.95 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL4400193 0.95 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL15203882 0.95 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8961764 0.94 FPR2 (0.34) FPR2CYP2C9ALOX5APFEN1S1PR1
SCHEMBL12032393 0.94 FPR2 (0.32) FPR2KDM1A
SCHEMBL22269486 0.94 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTLMNAMEN1

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
US-8389073-B2 Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-05 US disclosed
US-8389073-B2 Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-05 US disclosed
US-8389073-B2 Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-05 US disclosed
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-08 US disclosed
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-08 US disclosed
US-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-08 US disclosed
WO-2010095506-A1 TETRACYCLIC LIQUID-CRYSTALLINE COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-08-26 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-20110297881-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CCT4, TEC, TCF4 FPR2 2038/4885CYP2C9 343/4885ALDH1A1 2555/4885

“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.