SCHEMBL17487607

SCHEMBL17487607

CCCc1ccc(-c2ccc(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NAAA Q02083 1/20 0.35
MAOB P27338 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
ALOX5 P09917 2/20 0.35
ERN1 O75460 1/20 0.34
SLK Q9H2G2 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
FFAR1 O14842 2/20 0.32
PPARD Q03181 2/20 0.32
STK10 O94804 1/20 0.32
RXRG P48443 1/20 0.32
S1PR5 Q9H228 1/20 0.32
GYS1 P13807 1/20 0.32
MRGPRX4 Q96LA9 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
SCHEMBL17487946 0.93 CTSL (0.37) CTSLCTSSCTSKNAAAMAOB
SCHEMBL6896183 0.89 CTSL (0.40) CTSLCTSSCTSKNAAAGABRA1
SCHEMBL10302261 0.87 CTSL (0.40) CTSLCTSSCTSKNAAAGABRA1
SCHEMBL16852421 0.86 CTSL (0.45) CTSLCTSSCTSKNAAAGABRA1
SCHEMBL17487605 0.85 MAOB (0.48) CTSLCTSSCTSKMAOBFFAR1
SCHEMBL17487644 0.85 RXRG (0.38) CTSLCTSSCTSKMAOBFFAR1
SCHEMBL17359289 0.85 CTSL (0.44) CTSLCTSSCTSKNAAAGABRA1
SCHEMBL16852363 0.85 CTSL (0.44) CTSLCTSSCTSKNAAAGABRA1
SCHEMBL17487390 0.84 MAOB (0.41) CTSLCTSSCTSKMAOBGABRA1
SCHEMBL16852370 0.84 CTSL (0.43) CTSLCTSSCTSKNAAAGABRA1

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

“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.