SCHEMBL21397924

SCHEMBL21397924

O=c1c2ccccc2c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc3c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc4n1c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
DHODH Q02127 1/20 0.37
MCL1 Q07820 2/20 0.36
XDH P47989 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTRC Q99895 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAOB P27338 1/20 0.34
TSHR P16473 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
BRD4 O60885 1/20 0.34
TSPO P30536 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL14732254 0.97 CYP19A1 (0.37) CYP19A1DHODHMCL1XDHMEN1
SCHEMBL14732257 0.91 MAOB (0.40) MEN1KMT2AKDM4EMAOBBRD4
SCHEMBL23018875 0.91 KMT2A (0.35) CYP19A1DHODHMEN1KMT2AKDM4E
SCHEMBL22175302 0.90 MEN1 (0.36) CYP19A1DHODHMCL1XDHMEN1
SCHEMBL20632499 0.90 MAOB (0.39) MEN1KMT2AKDM4EMAOBBRD4
SCHEMBL14732295 0.90 MAOB (0.39) MEN1KMT2AKDM4EMAOBBRD4
SCHEMBL15213890 0.90 MAOB (0.39) MEN1KMT2AKDM4EMAOBBRD4
SCHEMBL20633762 0.89 MAOB (0.40) MEN1KMT2AKDM4EMAOBBRD4
SCHEMBL14732255 0.89 MAOB (0.40) MEN1KMT2AKDM4EMAOBBRD4
SCHEMBL17108015 0.88 CYP19A1 (0.40) CYP19A1DHODHXDHMEN1KMT2A

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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 (2 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 CYP19A1 4133/4885DHODH 3665/4885MCL1 3413/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 CYP19A1 4133/4885DHODH 3665/4885MCL1 3413/4885

“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.