SCHEMBL17367992

SCHEMBL17367992

CCCc1ccc(-c2ccc(-c3ccc(OC(F)(F)c4cc(F)c(F)c(F)c4)cc3)c(F)c2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
RORC P51449 4/20 0.32
APP P05067 2/20 0.32
PPARD Q03181 2/20 0.32
RORA P35398 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
GRM2 Q14416 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CYP2C19 P33261 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
SCHEMBL17368028 0.95 CTSL (0.36) CTSLCTSSCTSKRORC
SCHEMBL17368008 0.94 APP (0.34) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17368014 0.91 RORC (0.33) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17365975 0.91 CTSL (0.34) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17365835 0.90 ALOX5AP (0.34) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17368018 0.90 CTSL (0.34) CTSLCTSSCTSKPPARD
SCHEMBL17367991 0.90 CTSK (0.37) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17365786 0.90 CTSL (0.34) CTSLCTSSCTSKPPARD
SCHEMBL17368019 0.88 CTSK (0.36) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL17862158 0.88 RARB (0.34) RORCRORANR1H4S1PR1S1PR3

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-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-17 US disclosed
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-31 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 (2 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-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device PIEZO1, ROCK1, RCC1 CTSL 2885/4885CTSS 2894/4885CTSK 1913/4885
US-20150376504-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, ROCK1, RCC1 CTSL 2885/4885CTSS 2894/4885CTSK 1913/4885

“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.