SCHEMBL17704337

SCHEMBL17704337

c1ccc(-c2ccccc2-c2ccc3c(-c4cccc(-c5ncco5)n4)c4ccccc4c(-c4cccc(-c5ncco5)n4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
MCL1 Q07820 2/20 0.38
HPGD P15428 2/20 0.37
LTA4H P09960 1/20 0.37
TGFBR1 P36897 3/20 0.35
ENPP3 O14638 3/20 0.34
BRD4 O60885 1/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM5 P41594 1/20 0.33
PIK3CA P42336 1/20 0.33
ENPP1 P22413 2/20 0.32
PLG P00747 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL17704338 0.91 MCL1 (0.44) HPGDSMCL1HPGDLTA4HBRD4
SCHEMBL16159558 0.91 MCL1 (0.44) HPGDSMCL1HPGDLTA4HBRD4
SCHEMBL17704335 0.91 ENPP1 (0.40) MCL1HPGDLTA4HTGFBR1ENPP3
SCHEMBL17704341 0.90 MCL1 (0.43) HPGDSMCL1HPGDLTA4HBRD4
SCHEMBL17704342 0.89 MCL1 (0.42) HPGDSMCL1HPGDLTA4HBRD4
SCHEMBL17704343 0.88 ENPP1 (0.41) MCL1HPGDLTA4HENPP3BRD4
SCHEMBL16159713 0.87 MCL1 (0.33) MCL1HPGD
SCHEMBL17704379 0.84 HPGDS (0.39) HPGDSMCL1HPGDLTA4HTGFBR1
SCHEMBL16159185 0.84 HPGDS (0.48) HPGDSMCL1HPGDLTA4HBRD4
SCHEMBL17704367 0.84 HPGDS (0.42) HPGDSMCL1HPGDLTA4HTGFBR1

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 4461/4885MCL1 3753/4885HPGD 2813/4885

“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.