SCHEMBL25822992

SCHEMBL25822992

c1cc(-c2nc(-c3cccc(C4CCCCC4)c3)nc(-c3cccc(C4CCCCC4)c3)n2)cc(-c2nc(-c3cccc(C4CCCCC4)c3)nc(-c3cccc(C4CCCCC4)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CYP11B2 P19099 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.41
NOTUM Q6P988 1/20 0.41
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL23959725 0.95 KMO (0.47) KMOCASP3SENP7SENP6CTSS
SCHEMBL25823052 0.88 S1PR1 (0.49) KMOCASP3SENP7SENP6CYP11B2
SCHEMBL23959651 0.87 TDP1 (0.50) KMOCASP3SENP7SENP6TDP1
SCHEMBL22887393 0.87 CASP3 (0.48) KMOCASP3SENP7SENP6CTSS
SCHEMBL23959685 0.87 TDP1 (0.50) KMOCASP3SENP7SENP6TDP1
SCHEMBL23928347 0.87 TDP1 (0.50) KMOCASP3SENP7SENP6TDP1
SCHEMBL23959687 0.85 S1PR1 (0.45) KMOCASP3SENP7SENP6TDP1
SCHEMBL23959741 0.85 TDP1 (0.49) KMOCASP3SENP7SENP6TDP1
SCHEMBL23959748 0.85 S1PR1 (0.45) KMOCASP3SENP7SENP6TDP1
SCHEMBL12311577 0.85 ADORA1 (0.52) KMOCASP3SENP7SENP6CTSS

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-20230225202-A1 CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 US disclosed
US-20230225202-A1 CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 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-20230225202-A1 CYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, CRY2, PER2 KMO 2853/4885CASP3 4787/4885SENP7 3502/4885

“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.