SCHEMBL23913436

SCHEMBL23913436

c1ccc(-c2cccc3oc4cc(-c5nc(-c6ccc(-c7ccc8c(c7)sc7ccccc78)cc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc4c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
PRKDC P78527 1/20 0.35
F9 P00740 1/20 0.34
SLC9A1 P19634 1/20 0.33
BACE1 P56817 1/20 0.33
LIMK1 P53667 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
AHR P35869 1/20 0.32
ALOX5 P09917 2/20 0.32
PIM3 Q86V86 1/20 0.32
PIK3CA P42336 1/20 0.32
PI4KA P42356 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
SCHEMBL25851901 0.97 PRKDC (0.35) HCRTR1MMP12MMP13PRKDCF9
SCHEMBL23913829 0.97 HCRTR1 (0.36) HCRTR1MMP12MMP13PRKDCF9
SCHEMBL22763907 0.97 PRKDC (0.36) HCRTR1PRKDCF9SLC9A1BACE1
SCHEMBL23821586 0.96 MMP12 (0.35) HCRTR1MMP12MMP13PRKDCF9
SCHEMBL22763946 0.96 PRKDC (0.36) HCRTR1MMP12MMP13PRKDCF9
SCHEMBL23913437 0.95 PIM3 (0.35) HCRTR1MMP12MMP13PRKDCF9
SCHEMBL25459329 0.95 PRKDC (0.37) HCRTR1MMP12MMP13PRKDCF9
SCHEMBL23228200 0.95 PRKDC (0.38) HCRTR1PRKDCF9SLC9A1BACE1
SCHEMBL24315476 0.94 F9 (0.37) PRKDCF9SLC9A1BACE1LIMK1
SCHEMBL23821599 0.94 PRKDC (0.35) HCRTR1PRKDCF9SLC9A1BACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210320260-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2021-10-14 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-20210320260-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, TRPC1 HCRTR1 476/4885MMP12 4705/4885MMP13 4830/4885

“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.