SCHEMBL15744314

SCHEMBL15744314

CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)cc(F)c3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.35
RARA P10276 2/20 0.35
RARG P13631 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
MAOB P27338 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCL1 Q07820 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
THRB P10828 1/20 0.32
KIF11 P52732 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32

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
SCHEMBL15744325 0.92 RARB (0.35) RARBRARARARGMAOBNPC1
SCHEMBL13002204 0.91 RARB (0.36) RARBRARARARGCYP11B1MAOB
SCHEMBL503178 0.90 RARB (0.35) RARBRARARARGMAOBNPC1
SCHEMBL17108380 0.90 RARB (0.35) RARBRARARARGMAOBNPC1
SCHEMBL15786639 0.90 MAOB (0.40) RARBRARARARGMAOBTAAR1
SCHEMBL15744500 0.88 RARB (0.34) RARBRARARARGMAOBNPC1
SCHEMBL16841956 0.88 RARB (0.34) RARBRARARARGMAOBNPC1
SCHEMBL15744313 0.88 RARB (0.34) RARBRARARARGMAOBNPC1
SCHEMBL15744312 0.88 RARB (0.34) RARBRARARARGMAOBNPC1
SCHEMBL19393985 0.87 RARB (0.34) RARBRARARARGMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546181-B2 Compound having perfluoroalkyl terminal group and CF2O bonding group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-01-17 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-20160152636-A1 COMPOUND HAVING PERFLUOROALKYL TERMINAL GROUP AND CF2O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-02 US disclosed
EP-2735599-B1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2015-04-29 EP disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP 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-20160152636-A1 COMPOUND HAVING PERFLUOROALKYL TERMINAL GROUP AND CF2O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PFN1, AFF1, RCC1 RARB 2000/4885RARA 1035/4885RARG 2254/4885

“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.