SCHEMBL16159581

SCHEMBL16159581

CC1(C)c2cc(-c3ccc(-c4cocn4)cc3)ccc2-c2c1cc(-c1ccc(-c3cocn3)cc1)c1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
HDAC4 P56524 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
IMPDH2 P12268 2/20 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
SCHEMBL16159806 0.91 SCN9A (0.47) SCN9AHDAC4EDNRBEDNRAIMPDH2
SCHEMBL16159520 0.84 SCN9A (0.34) SCN9AHDAC4EDNRBEDNRAIMPDH2
SCHEMBL16159563 0.84 SCN9A (0.37) SCN9AHDAC4EDNRBEDNRA
SCHEMBL16159562 0.83 SCN9A (0.38) SCN9AHDAC4EDNRBEDNRAIMPDH2
SCHEMBL16159676 0.79 SCN9A (0.33) SCN9A
SCHEMBL16159293 0.78 LTA4H (0.39) HDAC4EDNRBEDNRAIMPDH2
SCHEMBL16159621 0.78 PDK2 (0.44) HDAC4EDNRBEDNRAIMPDH2
SCHEMBL16159804 0.77 SCN9A (0.51) SCN9AHDAC4EDNRBEDNRAIMPDH2
SCHEMBL16159513 0.76 SCN9A (0.46) SCN9AHDAC4EDNRBEDNRAIMPDH2
SCHEMBL16159303 0.75 PDPK1 (0.42) HDAC4EDNRBEDNRA

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 SCN9A 1007/4885HDAC4 1855/4885EDNRB 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.