SCHEMBL16626974

SCHEMBL16626974

Fc1cc2cc(-c3ccc(COc4c(F)cc(Br)cc4F)cc3)ccc2c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MAOB P27338 4/20 0.33
KDM1A O60341 2/20 0.32
FFAR4 Q5NUL3 3/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
AR P10275 2/20 0.31
F10 P00742 2/20 0.30
MAPT P10636 1/20 0.30
F9 P00740 1/20 0.30
MCL1 Q07820 1/20 0.30
MAOA P21397 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
SCHEMBL18193760 0.87 ESR1 (0.35) ESR1ESR2MAOBFFAR4THRA
SCHEMBL20202938 0.87 ESR1 (0.38) ESR1ESR2MAOBKDM1AFFAR4
SCHEMBL16210206 0.85 FFAR4 (0.38) ESR1ESR2MAOBFFAR4MCL1
SCHEMBL16626973 0.84 MAOA (0.37) ESR1ESR2MAOBFFAR4F10
SCHEMBL20202939 0.83 FFAR4 (0.37) ESR1ESR2FFAR4
SCHEMBL20202929 0.82 RARB (0.41) ESR1FFAR4MAPT
SCHEMBL20202936 0.80 FFAR4 (0.35) ESR1ESR2MAOBKDM1AFFAR4
SCHEMBL20202962 0.80 FFAR4 (0.35) ESR1ESR2MAOBKDM1AFFAR4
SCHEMBL15088625 0.78 RXRA (0.43) MAOBF10F9MAOA
SCHEMBL16210464 0.78 FFAR4 (0.36) ESR1ESR2FFAR4F10

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 ESR1 3184/4885ESR2 3816/4885MAOB 3043/4885

“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.