SCHEMBL20111451

SCHEMBL20111451

CCCc1ccc2c(c1F)-c1c-2cc(-c2ccccc2)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
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 3/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
PTGS1 P23219 4/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
MEN1 O00255 2/20 0.30
PTGS2 P35354 2/20 0.30
KMT2A Q03164 2/20 0.30
FABP2 P12104 1/20 0.30
TSHR P16473 1/20 0.30
AKR1C4 P17516 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
SCHEMBL20111287 0.87 CTSL (0.36) CTSLCTSSCTSKELANECTSG
SCHEMBL28382461 0.82 CTSL (0.51) CTSLCTSSCTSKADORA3ADORA2A
SCHEMBL20102435 0.82 RARB (0.45) ADORA3ADORA2AMAPTPTGS1MEN1
SCHEMBL20111325 0.80 CTSL (0.39) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL20111204 0.80 CTSL (0.42) CTSLCTSSCTSKELANECTSG
SCHEMBL20111672 0.80 CTSL (0.40) CTSLCTSSCTSKHTR2CDRD3
SCHEMBL20102443 0.79 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL20102439 0.79 TYR (0.35) CTSLCTSSCTSKMAPTELANE
SCHEMBL20111309 0.79 CYP3A4 (0.40) CTSLCTSSCTSKMAPTKMT2A
SCHEMBL20102403 0.78 CTSL (0.36) 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.