SCHEMBL16159199

SCHEMBL16159199

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cocn5)cc4)c4ccccc34)c3ccccc3c(-c3ccc(-c4cocn4)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
SCN9A Q15858 2/20 0.42
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ACHE P22303 5/20 0.33
IMPDH2 P12268 1/20 0.32
NAAA Q02083 1/20 0.32
KCNK13 Q9HB14 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
EGFR P00533 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
AR P10275 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
SCHEMBL16159726 0.98 HDAC4 (0.44) HDAC4SCN9AEDNRBEDNRAADRB2
SCHEMBL16159514 0.89 HDAC4 (0.45) HDAC4SCN9AEDNRBEDNRAADRB2
SCHEMBL16159582 0.86 SCN9A (0.42) HDAC4SCN9AEDNRBEDNRAACHE
SCHEMBL16159697 0.86 SCN9A (0.42) HDAC4SCN9AEDNRBEDNRAACHE
SCHEMBL16159405 0.84 SCN9A (0.56) HDAC4SCN9AEDNRBEDNRAACHE
SCHEMBL16159480 0.83 SCN9A (0.43) HDAC4SCN9AEDNRBEDNRAACHE
SCHEMBL16159479 0.83 SCN9A (0.46) HDAC4SCN9AEDNRBEDNRAACHE
SCHEMBL16159513 0.83 SCN9A (0.46) HDAC4SCN9AEDNRBEDNRAADRB2
SCHEMBL16159699 0.82 CYP1A2 (0.37) HDAC4SCN9AAR
SCHEMBL16159625 0.82 SCN9A (0.48) HDAC4SCN9AEDNRBEDNRAACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 WO 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 HDAC4 1855/4885SCN9A 1007/4885EDNRB 1035/4885

“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.