SCHEMBL17487946

SCHEMBL17487946

CCCc1ccc(-c2ccc(CCc3ccc(OCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
ALOX5 P09917 2/20 0.36
RXRG P48443 1/20 0.35
NAAA Q02083 1/20 0.34
MAOB P27338 1/20 0.34
ABCB1 P08183 2/20 0.33
FFAR1 O14842 2/20 0.32
PPARD Q03181 2/20 0.32
S1PR1 P21453 1/20 0.32
PPARA Q07869 1/20 0.31
VDR P11473 1/20 0.31
ERN1 O75460 1/20 0.31
SLK Q9H2G2 1/20 0.31
S1PR5 Q9H228 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL17487607 0.93 CTSL (0.41) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL6896183 0.85 CTSL (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL17487597 0.85 CTSL (0.37) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL10302261 0.83 CTSL (0.40) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL17487943 0.83 ALOX5 (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL17487893 0.83 ALOX5 (0.36) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL17487891 0.83 RXRG (0.38) GABRA1GABRB2ALOX5RXRGMAOB
SCHEMBL17487643 0.82 RXRG (0.42) CTSLCTSSCTSKRXRGMAOB
SCHEMBL17487605 0.82 MAOB (0.48) CTSLCTSSCTSKMAOBFFAR1
SCHEMBL17487644 0.81 RXRG (0.38) CTSLCTSSCTSKRXRGMAOB

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.