SCHEMBL17487407

SCHEMBL17487407

CCCc1ccc(CCc2cc(F)c(F)c(F)c2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TYR P14679 2/20 0.35
NOS1 P29475 7/20 0.33
NOS2 P35228 7/20 0.33
NOS3 P29474 6/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33
MAOB P27338 1/20 0.32
RIPK1 Q13546 1/20 0.32
HMGCR P04035 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL17487642 0.93 CTSL (0.33) CTSLCTSSCTSKTYRNOS1
SCHEMBL17487431 0.93 CTSL (0.45) CTSLCTSSCTSKTYRNOS1
SCHEMBL17487563 0.93 LPL (0.36) TYRPTGS1PTGS2
SCHEMBL17487679 0.89 CTSL (0.39) CTSLCTSSCTSK
SCHEMBL17487389 0.88 TYR (0.31) CTSLCTSSCTSKTYRNOS1
SCHEMBL17487398 0.86 NOS1 (0.33) CTSLCTSSCTSKNOS1NOS2
SCHEMBL17487399 0.86 NOS1 (0.33) CTSLCTSSCTSKNOS1NOS2
SCHEMBL17487392 0.85 DAO (0.41) CTSLCTSSCTSKLMNAMAPT
SCHEMBL17487597 0.85 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL17487629 0.84 RARB (0.40) CTSLCTSSCTSKLMNAMAPT

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.