SCHEMBL17487598

SCHEMBL17487598

Cc1ccc(-c2ccc(CCc3cc(F)c(F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
PTGS1 P23219 2/20 0.40
DAO P14920 1/20 0.35
RARB P10826 2/20 0.35
P2RX7 Q99572 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP21A2 P08686 1/20 0.34
CYP11B1 P15538 1/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
CHKA P35790 1/20 0.33
BACE1 P56817 1/20 0.33
AKT2 P31751 1/20 0.33
MAOB P27338 1/20 0.33
MPL P40238 1/20 0.32
FFAR4 Q5NUL3 1/20 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
SCHEMBL17487799 0.85 RARB (0.42) PTGS2PTGS1RARBCYP17A1CYP21A2
SCHEMBL18503372 0.85 CYP1A2 (0.39) PTGS2PTGS1CHKABACE1FFAR4
SCHEMBL17616206 0.83 RARB (0.38) PTGS2PTGS1RARBCHKAMPL
SCHEMBL10302020 0.83 VDR (0.40) PTGS2PTGS1DAORARBCHKA
SCHEMBL19798106 0.82 BACE1 (0.38) PTGS2PTGS1DAORARBBACE1
SCHEMBL10301993 0.82 VDR (0.37) PTGS2PTGS1DAORARBCHKA
SCHEMBL12172447 0.81 RARB (0.38) RARBMPL
SCHEMBL12740128 0.81 DAO (0.43) PTGS2PTGS1DAORARBBACE1
SCHEMBL12740123 0.81 DAO (0.43) PTGS2PTGS1DAORARBBACE1
SCHEMBL17359298 0.81 PTGS2 (0.38) PTGS2PTGS1

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 2 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-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 PTGS2 4315/4885PTGS1 3938/4885DAO 2848/4885

“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.