SCHEMBL17487589

SCHEMBL17487589

CCCc1ccc(-c2ccc(CCc3cc(F)c(C(F)(F)F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
RARB P10826 1/20 0.35
CHKA P35790 1/20 0.34
ALOX5 P09917 1/20 0.33
MPL P40238 4/20 0.32
VDR P11473 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP21A2 P08686 1/20 0.31
CYP11B1 P15538 1/20 0.31
KIF11 P52732 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAOB P27338 1/20 0.31
PDK2 Q15119 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 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
SCHEMBL17487434 0.96 DAO (0.35) DAOCTSLCTSSCTSKRARB
SCHEMBL17487585 0.88 RARB (0.39) CTSLCTSSCTSKRARBCHKA
SCHEMBL17487804 0.87 CTSL (0.40) CTSLCTSSCTSKRARBCHKA
SCHEMBL17487408 0.86 DAO (0.42) DAOCTSLCTSSCTSK
SCHEMBL17487627 0.85 DAO (0.33) DAOCTSLCTSSCTSKRARB
SCHEMBL17487596 0.84 DAO (0.33) DAOCHKA
SCHEMBL17487608 0.84 MAOB (0.38) CTSLCTSSCTSKVDRMAOB
SCHEMBL17487615 0.84 S1PR1 (0.35) CTSLCTSSCTSKRARBCHKA
SCHEMBL17487368 0.84 RARB (0.38) CTSLCTSSCTSKRARBCHKA
SCHEMBL17487587 0.84 ALOX5 (0.38) DAOCTSLCTSSCTSKRARB

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-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 DAO 2848/4885CTSL 2714/4885CTSS 2644/4885

“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.