SCHEMBL16159558

SCHEMBL16159558

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.44
HPGDS O60760 1/20 0.40
LTA4H P09960 1/20 0.40
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
KLF5 Q13887 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PIK3CA P42336 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 1.00 MCL1 (0.44) MCL1HPGDSLTA4HHPGDRAB9A
SCHEMBL17704341 0.99 MCL1 (0.43) MCL1HPGDSLTA4HHPGDRAB9A
SCHEMBL17704342 0.97 MCL1 (0.42) MCL1HPGDSLTA4HHPGDRAB9A
SCHEMBL17704337 0.91 HPGDS (0.38) MCL1HPGDSLTA4HHPGDRAB9A
SCHEMBL17704334 0.90 SMN1; SMN2 (0.40) MCL1HPGDSLTA4HHPGDKDM4E
SCHEMBL17704343 0.89 ENPP1 (0.41) MCL1LTA4HHPGDRAB9AKDM4E
SCHEMBL17704335 0.86 ENPP1 (0.40) MCL1LTA4HHPGDRAB9AKDM4E
SCHEMBL17704344 0.86 BRD4 (0.41) MCL1HPGDSLTA4HHPGDRAB9A
SCHEMBL16159734 0.86 MCL1 (0.38) MCL1HPGDSLTA4H
SCHEMBL16159190 0.86 MCL1 (0.38) MCL1HPGDSLTA4H

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 MCL1 3753/4885HPGDS 4461/4885LTA4H 1673/4885

“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.