SCHEMBL16159145

SCHEMBL16159145

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-c4ncco4)nc3)ccc2-c2ccc(-c3ccc(-c4ncco4)nc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
PDK2 Q15119 13/20 0.38
LTA4H P09960 1/20 0.37
MCL1 Q07820 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
IMPDH2 P12268 1/20 0.32
PIN1 Q13526 1/20 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
SCHEMBL16159184 0.89 PDK2 (0.34) HPGDSPDK2LTA4HMCL1
SCHEMBL16159181 0.89 HPGDS (0.43) HPGDSPDK2LTA4HMCL1CCNC
SCHEMBL16159305 0.87 LTA4H (0.47) HPGDSPDK2LTA4H
SCHEMBL16159495 0.84 HPGDS (0.42) HPGDSPDK2LTA4H
SCHEMBL16159748 0.84 PDK2 (0.40) HPGDSPDK2LTA4HMCL1CCNC
SCHEMBL16159142 0.83 HPGDS (0.37) HPGDSPDK2LTA4HMCL1CCNC
SCHEMBL16159444 0.82 PDK2 (0.42) HPGDSPDK2LTA4HCCNCCDK8
SCHEMBL18101984 0.80 PDK2 (0.50) HPGDSPDK2HSD17B1HSD17B2
SCHEMBL19164579 0.79 PDK2 (0.49) HPGDSPDK2HSD17B1HSD17B2
SCHEMBL19164380 0.78 HSD17B1 (0.44) HPGDSPDK2HSD17B1HSD17B2

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 HPGDS 4461/4885PDK2 2391/4885LTA4H 1673/4885

“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.