SCHEMBL16159451

SCHEMBL16159451

c1ccc(C2(c3ccccc3)c3cc(-c4cccc(-c5ncco5)n4)ccc3-c3ccc(-c4cccc(-c5ncco5)n4)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
HPGDS O60760 1/20 0.37
PDK2 Q15119 3/20 0.36
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MCL1 Q07820 1/20 0.33
PIN1 Q13526 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC4 P56524 1/20 0.32
TNKS O95271 1/20 0.32
IMPDH2 P12268 1/20 0.31
ASIC3 Q9UHC3 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
SCHEMBL16159444 0.89 PDK2 (0.42) LTA4HHPGDSPDK2HPGDCCNC
SCHEMBL16159437 0.88 LTA4H (0.33) LTA4HHPGDSHPGDMCL1BRD4
SCHEMBL16159507 0.85 HPGDS (0.44) LTA4HHPGDSPDK2HPGDMCL1
SCHEMBL16159312 0.84 LTA4H (0.49) LTA4HHPGDSPDK2MCL1CCNC
SCHEMBL16159439 0.83 CCNC (0.36) LTA4HHPGDSPDK2HPGDCCNC
SCHEMBL16159181 0.82 HPGDS (0.43) LTA4HHPGDSPDK2HPGDMCL1
SCHEMBL16159445 0.79 PDK2 (0.35) LTA4HPDK2BRD4
SCHEMBL16159747 0.79 HPGDS (0.42) LTA4HHPGDSPDK2MCL1PIN1
SCHEMBL16159693 0.78 LTA4H (0.45) LTA4HHPGDSHPGDMEN1RAB9A
SCHEMBL17116479 0.77 MYC (0.38) PDK2

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 LTA4H 1673/4885HPGDS 4461/4885PDK2 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.