SCHEMBL20111216

SCHEMBL20111216

CCCc1ccc2c(c1F)-c1c-2ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
F2RL1 P55085 3/20 0.33
ELANE P08246 2/20 0.33
CTSG P08311 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PTGS2 P35354 3/20 0.32
HMGCR P04035 1/20 0.32
RIPK1 Q13546 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL20111324 0.84 PTGS2 (0.37) FEN1PTGS2RIPK1PTGS1
SCHEMBL10061129 0.81 RIPK1 (0.41) CTSLCTSSCTSKF2RL1HMGCR
SCHEMBL5361150 0.80 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL20102403 0.79 CTSL (0.36) CTSLCTSSCTSKELANECTSG
SCHEMBL20111204 0.78 CTSL (0.42) CTSLCTSSCTSKELANECTSG
SCHEMBL20111275 0.78 HMGCR (0.41) CTSLCTSSCTSKELANECTSG
SCHEMBL17719287 0.76 CTSL (0.45) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL20102397 0.75 CTSL (0.39) CTSLCTSSCTSKELANECTSG
SCHEMBL20102387 0.75 CTSL (0.37) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL20102399 0.75 TYR (0.41) CTSLCTSSCTSKELANECTSG

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S CTSL 2729/4885CTSS 2436/4885CTSK 2311/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S CTSL 2729/4885CTSS 2436/4885CTSK 2311/4885

“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.