SCHEMBL18314838

SCHEMBL18314838

CCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC(F)(F)C=C(F)F)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
MCL1 Q07820 1/20 0.33
ALOX5 P09917 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
KIF11 P52732 1/20 0.33
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 2/20 0.32
PDK2 Q15119 1/20 0.32
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
CYP17A1 P05093 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
SCHEMBL18314820 0.99 RARB (0.37) RARBRARARARGMCL1ALOX5
SCHEMBL18314840 0.99 RARB (0.37) RARBRARARARGMCL1ALOX5
SCHEMBL18314845 0.95 RARB (0.34) RARBRARARARGMCL1KIF11
SCHEMBL18314841 0.94 GABRA1 (0.36) RARBALOX5GABRA1GABRB2S1PR1
SCHEMBL18314813 0.92 RARB (0.42) RARBRARARARGKIF11S1PR1
SCHEMBL18314916 0.92 PDK2 (0.36) RARBALOX5GABRA1GABRB2S1PR1
SCHEMBL18560140 0.91 RARB (0.47) RARBRARARARGS1PR1S1PR3
SCHEMBL18314919 0.91 RARB (0.37) RARBRARARARGMCL1ALOX5
SCHEMBL18314817 0.91 RARB (0.37) RARBRARARARGMCL1ALOX5
SCHEMBL18314847 0.90 ALOX5 (0.33) RARBALOX5GABRA1GABRB2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.