SCHEMBL18310477

SCHEMBL18310477

CCCc1ccc(-c2ccc(-c3cc(F)c(-c4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
MCL1 Q07820 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 2/20 0.33
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
FFAR1 O14842 1/20 0.31
CYP17A1 P05093 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
C3AR1 Q16581 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
SCHEMBL18310483 0.95 RARB (0.40) RARBRARARARGMCL1NPC1
SCHEMBL18310409 0.95 RARB (0.40) RARBRARARARGMCL1NPC1
SCHEMBL18310478 0.94 RARB (0.39) RARBRARARARGMCL1NPC1
SCHEMBL18310484 0.93 ALOX5 (0.35) RARBNPC1RAB9ATP53PKM
SCHEMBL18310417 0.92 CNR1 (0.33) RARBNPC1RAB9ATP53PKM
SCHEMBL18310479 0.92 RARB (0.34) RARBRARARARGMCL1NPC1
SCHEMBL19829089 0.91 RARB (0.37) RARBRARARARGMCL1NPC1
SCHEMBL18310411 0.87 RARB (0.46) RARBRARARARGNPC1RAB9A
SCHEMBL18310571 0.87 ALOX5 (0.38) RARBNPC1RAB9ATP53PKM
SCHEMBL18310413 0.87 ALOX5 (0.38) RARBNPC1RAB9ATP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951277-B2 Liquid crystal compound having 1,1,3,3-tetrafluoroallyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-04-24 US disclosed
US-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed
US-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-12-15 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-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE TCOF1, PIEZO1, RCC1 RARB 2668/4885RARA 1373/4885RARG 3234/4885

“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.