SCHEMBL16159181

SCHEMBL16159181

c1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5ncco5)nc4)ccc3-c3ccc(-c4ccc(-c5ncco5)nc4)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
LTA4H P09960 1/20 0.39
MCL1 Q07820 1/20 0.35
IMPDH2 P12268 1/20 0.33
PDK2 Q15119 2/20 0.33
PIN1 Q13526 1/20 0.33
HPGD P15428 2/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
HDAC4 P56524 1/20 0.32
FAAH O00519 2/20 0.31
BRD4 O60885 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
SCHEMBL16159145 0.89 HPGDS (0.40) HPGDSLTA4HMCL1IMPDH2PDK2
SCHEMBL16159147 0.88 HPGDS (0.36) HPGDSLTA4HMCL1BRD4
SCHEMBL16159312 0.87 LTA4H (0.49) HPGDSLTA4HMCL1IMPDH2PDK2
SCHEMBL16159507 0.85 HPGDS (0.44) HPGDSLTA4HMCL1IMPDH2PDK2
SCHEMBL16159747 0.84 HPGDS (0.42) HPGDSLTA4HMCL1IMPDH2PDK2
SCHEMBL16159451 0.82 LTA4H (0.39) HPGDSLTA4HMCL1IMPDH2PDK2
SCHEMBL16159142 0.82 HPGDS (0.37) HPGDSLTA4HMCL1IMPDH2PDK2
SCHEMBL16159184 0.79 PDK2 (0.34) HPGDSLTA4HMCL1PDK2BRD4
SCHEMBL16159433 0.78 PDK2 (0.46) IMPDH2PDK2
SCHEMBL18461772 0.77 PDK2 (0.37) PDK2FAAH

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 4461/4885LTA4H 1673/4885MCL1 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.