SCHEMBL16159804

SCHEMBL16159804

CC1(C)c2cc(-c3cccc(-c4cocn4)c3)ccc2-c2ccc(-c3cccc(-c4cocn4)c3)cc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.51
EGFR P00533 1/20 0.36
PDK2 Q15119 10/20 0.35
HDAC4 P56524 1/20 0.35
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
PGR P06401 2/20 0.34
IMPDH2 P12268 2/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL16159562 0.89 SCN9A (0.38) SCN9APDK2HDAC4PGRIMPDH2
SCHEMBL16159806 0.85 SCN9A (0.47) SCN9AEGFRHDAC4IMPDH2EDNRB
SCHEMBL16159776 0.83 SCN9A (0.56) SCN9APDK2
SCHEMBL16159805 0.82 SCN9A (0.51) SCN9AEGFRPDK2HDAC4CDK4
SCHEMBL16159336 0.78 SCN9A (0.55) SCN9AEGFRHDAC4CDK4CDK2
SCHEMBL14564377 0.77 SCN9A (0.62) SCN9AEGFRHDAC4CDK4CDK2
SCHEMBL16159581 0.77 SCN9A (0.36) SCN9AHDAC4IMPDH2EDNRBEDNRA
SCHEMBL16159343 0.76 SCN9A (0.66) SCN9AEGFRHDAC4CDK4CDK2
SCHEMBL14508169 0.76 PDK2 (0.52) PDK2
SCHEMBL16159404 0.75 SCN9A (0.64) SCN9AEGFRHDAC4CDK4CDK2

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 1007/4885EGFR 1839/4885PDK2 2391/4885

“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.