SCHEMBL17487590

SCHEMBL17487590

CCCc1ccc(-c2ccc(CCc3ccc(OC(F)(F)F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.37
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
NAAA Q02083 1/20 0.36
ALOX5 P09917 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
PDE2A O00408 1/20 0.33
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 5/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CASR P41180 1/20 0.33
RARB P10826 1/20 0.33
EPHX2 P34913 1/20 0.33
CACNA1H O95180 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 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
SCHEMBL17487418 0.97 CTSK (0.36) CTSKCTSSCTSLNAAAALOX5
SCHEMBL17487689 0.93 CTSK (0.37) CTSKCTSSCTSLNAAAALOX5
SCHEMBL17487806 0.93 ALOX5 (0.36) CTSKCTSSNAAAALOX5GABRA1
SCHEMBL17487873 0.92 CTSK (0.38) CTSKCTSSCTSLNAAAALOX5
SCHEMBL17487560 0.91 CTSK (0.39) CTSKCTSSCTSLNAAAALOX5
SCHEMBL17487789 0.91 CTSK (0.39) CTSKCTSSCTSLNAAAALOX5
SCHEMBL17487383 0.89 PDE2A (0.38) CTSKCTSSCTSLNAAAPDE2A
SCHEMBL17487616 0.86 FFAR4 (0.37) CTSKCTSSCTSLNAAAALOX5
SCHEMBL17490326 0.86 HCRTR1 (0.42) PDE2AHCRTR1HCRTR2FFAR4
SCHEMBL17487450 0.84 CTSK (0.34) CTSKNAAAEPHX2

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 CTSK 2692/4885CTSS 2644/4885CTSL 2714/4885

“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.