SCHEMBL16159183

SCHEMBL16159183

CC1(C)c2cc(-c3ccc(-c4ncco4)nc3)ccc2-c2c1cc(-c1ccc(-c3ncco3)nc1)c1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
HPGDS O60760 1/20 0.34
MCL1 Q07820 1/20 0.33
LTA4H P09960 1/20 0.32
HPGD P15428 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
PDK2 Q15119 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
TNKS O95271 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
HDAC4 P56524 1/20 0.30
IMPDH2 P12268 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
SCHEMBL16159293 0.87 LTA4H (0.39) BRD4HPGDSMCL1LTA4HHPGD
SCHEMBL16159147 0.85 HPGDS (0.36) BRD4HPGDSMCL1LTA4H
SCHEMBL16159184 0.85 PDK2 (0.34) BRD4HPGDSMCL1LTA4HPDK2
SCHEMBL16159142 0.85 HPGDS (0.37) BRD4HPGDSMCL1LTA4HHPGD
SCHEMBL16159531 0.85 BRD4 (0.37) BRD4HPGDSMCL1LTA4HHPGD
SCHEMBL16159749 0.84 BACE1 (0.35) BRD4HPGDSMCL1LTA4HCCNC
SCHEMBL16159435 0.81 PDK2 (0.41) PDK2HSD17B1HSD17B2HDAC4IMPDH2
SCHEMBL17704346 0.81 BRD4 (0.36) BRD4LTA4HHPGDCCNCCDK8
SCHEMBL16159067 0.79 LTA4H (0.44) BRD4HPGDSLTA4HHPGDCCNC
SCHEMBL16159204 0.79 RAB9A (0.34) MCL1HPGDCA12CA1CA2

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 BRD4 712/4885HPGDS 4461/4885MCL1 3753/4885

“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.