SCHEMBL17704372

SCHEMBL17704372

c1ccc(-c2cccc(-c3ccc4c(-c5cc(-c6ncco6)ccn5)c5ccccc5c(-c5cc(-c6ncco6)ccn5)c4c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
LTA4H P09960 1/20 0.42
PIM1 P11309 1/20 0.40
MCL1 Q07820 1/20 0.39
BRD4 O60885 1/20 0.37
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
HDAC4 P56524 3/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33

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
SCHEMBL17704376 0.97 HPGDS (0.43) HPGDSLTA4HPIM1MCL1BRD4
SCHEMBL17704370 0.97 HPGDS (0.44) HPGDSLTA4HPIM1MCL1BRD4
SCHEMBL17704368 0.97 HPGDS (0.44) HPGDSLTA4HPIM1MCL1BRD4
SCHEMBL17704385 0.90 MCL1 (0.41) HPGDSLTA4HPIM1MCL1BRD4
SCHEMBL17704294 0.90 HPGDS (0.47) HPGDSLTA4HMCL1BRD4PIK3CA
SCHEMBL17704295 0.90 HPGDS (0.47) HPGDSLTA4HMCL1BRD4PIK3CA
SCHEMBL17704305 0.90 HPGDS (0.47) HPGDSLTA4HMCL1BRD4PIK3CA
SCHEMBL17704367 0.89 HPGDS (0.42) HPGDSLTA4HPIM1MCL1BRD4
SCHEMBL17704290 0.88 HPGDS (0.46) HPGDSLTA4HMCL1BRD4PIK3CA
SCHEMBL17704389 0.88 MCL1 (0.41) HPGDSLTA4HPIM1MCL1BRD4

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 2 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

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 1673/4885PIM1 2642/4885

“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.