SCHEMBL16626973

SCHEMBL16626973

O=Cc1cc(F)c(OCc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.37
MAOB P27338 5/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
ERN1 O75460 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL18193760 0.84 ESR1 (0.35) MAOAMAOBESR1ESR2F10
SCHEMBL16626974 0.84 ESR1 (0.35) MAOAMAOBMAPTESR1ESR2
SCHEMBL20202938 0.84 ESR1 (0.38) MAOAMAOBMAPTESR1ESR2
SCHEMBL16210206 0.82 FFAR4 (0.38) MAOAMAOBRAB9AESR1ESR2
SCHEMBL20202939 0.80 FFAR4 (0.37) RAB9AESR1ESR2NPC1FFAR4
SCHEMBL20202929 0.79 RARB (0.41) ALDH1A1L3MBTL1MAPTCYP3A4LMNA
SCHEMBL16626971 0.79 KIF11 (0.49) ALDH1A1ERN1ESR1ESR2KIF11
SCHEMBL20202936 0.77 FFAR4 (0.35) MAOAMAOBL3MBTL1MAPTLMNA
SCHEMBL20202962 0.77 FFAR4 (0.35) MAOAMAOBL3MBTL1MAPTLMNA
SCHEMBL15088625 0.75 RXRA (0.43) MAOAMAOBF10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573923-B2 Liquid crystal compound having 2, 6-difluorophenylether structure, and liquid crystal composition containing the same DIC CORPORATION (JP) 2017-02-21 US disclosed
US-9573923-B2 Liquid crystal compound having 2, 6-difluorophenylether structure, and liquid crystal composition containing the same DIC CORPORATION (JP) 2017-02-21 US disclosed
US-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DIC CORPORATION (JP) 2016-06-09 US disclosed
US-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DIC CORPORATION (JP) 2016-06-09 US disclosed
WO-2015049940-A1 LIQUID CRYSTALLINE COMPOUND HAVING 2,6-DIFLUOROPHENYL ETHER STRUCTURE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME DIC株式会社 2015-04-09 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-20160159765-A1 LIQUID CRYSTAL COMPOUND HAVING 2, 6-DIFLUOROPHENYLETHER STRUCTURE, AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME FGFR2, FGFR1, FGF2 MAOA 2855/4885MAOB 3043/4885ALDH1A1 1876/4885

“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.