SCHEMBL17799313

SCHEMBL17799313

CCCC1COC(c2ccc(Br)c(F)c2)OC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.45
RCOR1 Q9UKL0 1/20 0.45
KCNH2 Q12809 2/20 0.43
KDM1B Q8NB78 1/20 0.43
ABCC9 O60706 3/20 0.31
KCNJ11 Q14654 3/20 0.31
ABCC8 Q09428 1/20 0.30
KCNJ8 Q15842 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
SCHEMBL31571443 1.00 KDM1A (0.45) KDM1ARCOR1KCNH2KDM1BABCC9
SCHEMBL27920144 0.93 KDM1A (0.42) KDM1ARCOR1KCNH2KDM1BABCC9
SCHEMBL27920142 0.93 KDM1A (0.42) KDM1ARCOR1KCNH2KDM1BABCC9
SCHEMBL31571444 0.90 KDM1A (0.46) KDM1ARCOR1KCNH2KDM1BABCC9
SCHEMBL9555964 0.88 KDM1A (0.39) KDM1ARCOR1KCNH2KDM1BABCC9
SCHEMBL9555968 0.88 KDM1A (0.39) KDM1ARCOR1KCNH2KDM1BABCC9
SCHEMBL8997270 0.88 HTR2A (0.36) KDM1ARCOR1ABCC9KCNJ11
SCHEMBL9556367 0.87 KDM1A (0.40) KDM1ARCOR1KCNH2KDM1B
SCHEMBL9556374 0.87 KDM1A (0.40) KDM1ARCOR1KCNH2KDM1B
SCHEMBL10501948 0.84 CYP2C9 (0.31) KDM1ARCOR1

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 4 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

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 KDM1A 3393/4885RCOR1 4814/4885KCNH2 3499/4885

“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.