SCHEMBL17704367

SCHEMBL17704367

c1ccc(-c2ccccc2-c2ccc3c(-c4cc(-c5ncco5)ccn4)c4ccccc4c(-c4cc(-c5ncco5)ccn4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
LTA4H P09960 1/20 0.41
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PIM1 P11309 1/20 0.36
BRD4 O60885 2/20 0.36
PIK3CA P42336 1/20 0.36
PRKDC P78527 2/20 0.35
MCL1 Q07820 1/20 0.34
HPGD P15428 2/20 0.34
TRPM4 Q8TD43 1/20 0.34
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
TGFBR1 P36897 1/20 0.33
HDAC4 P56524 1/20 0.33
TSHR P16473 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17704368 0.91 HPGDS (0.44) HPGDSLTA4HCCNCCDK8PIM1
SCHEMBL17704370 0.91 HPGDS (0.44) HPGDSLTA4HCCNCCDK8PIM1
SCHEMBL17704379 0.90 HPGDS (0.39) HPGDSLTA4HCCNCCDK8PIM1
SCHEMBL17704372 0.89 HPGDS (0.43) HPGDSLTA4HCCNCCDK8PIM1
SCHEMBL17704376 0.89 HPGDS (0.43) HPGDSLTA4HCCNCCDK8PIM1
SCHEMBL17704364 0.88 ENPP1 (0.39) HPGDSLTA4HCCNCCDK8BRD4
SCHEMBL16159185 0.88 HPGDS (0.48) HPGDSLTA4HCCNCCDK8BRD4
SCHEMBL17704303 0.88 HPGDS (0.43) HPGDSLTA4HCCNCCDK8BRD4
SCHEMBL16159737 0.87 LTA4H (0.48) HPGDSLTA4HCCNCCDK8BRD4
SCHEMBL17704375 0.86 ENPP1 (0.40) HPGDSLTA4HCCNCCDK8BRD4

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 1673/4885CCNC 707/4885

“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.