SCHEMBL16159398

SCHEMBL16159398

c1cc(-c2cc3ccc4cc(-c5cccc(-c6cocn6)c5)cc5ccc(c2)c3c45)cc(-c2cocn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.52
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
EGFR P00533 1/20 0.36
PGR P06401 2/20 0.33
HDAC4 P56524 1/20 0.33
IMPDH2 P12268 2/20 0.32
ENPP3 O14638 1/20 0.30
KMO O15229 1/20 0.30
HSD17B1 P14061 3/20 0.30
HSD17B2 P37059 3/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
ESR1 P03372 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 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
SCHEMBL16159336 0.90 SCN9A (0.55) SCN9ACDK4CDK2GSK3BEGFR
SCHEMBL16159202 0.84 SCN9A (0.39) SCN9AHDAC4ENPP3ESR1ESR2
SCHEMBL14564377 0.82 SCN9A (0.62) SCN9ACDK4CDK2GSK3BEGFR
SCHEMBL26260186 0.80 SCN9A (0.46) SCN9ACDK4CDK2GSK3BEGFR
SCHEMBL16159401 0.78 SCN9A (0.55) SCN9ACDK4CDK2GSK3BEGFR
SCHEMBL26260207 0.78 SCN9A (0.45) SCN9ACDK4CDK2GSK3BEGFR
SCHEMBL26260165 0.77 SCN9A (0.49) SCN9AHDAC4ESR1CYP1A2CYP2C9
SCHEMBL16159580 0.77 SCN9A (0.41) SCN9APGRHDAC4ENPP3ESR1
SCHEMBL8007463 0.77 ESR1 (0.57) SCN9AHSD17B1HSD17B2ESR1CYP3A4
SCHEMBL16159400 0.75 SCN9A (0.55) SCN9ACDK4CDK2GSK3BEGFR

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 1007/4885CDK4 1616/4885CDK2 2688/4885

“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.