SCHEMBL21168899

SCHEMBL21168899

c1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)c2ccccc2n4-c2nc3ccccc3nc2-c2cc3ccccc3c3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
GSR P00390 1/20 0.31
PDE7A Q13946 1/20 0.31
TERT O14746 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL21168809 0.96 KDM4E (0.38) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL21168898 0.92 KDM4E (0.35) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19507603 0.89 KDM4E (0.36) KDM4EATML3MBTL1GSRTERT
SCHEMBL21717017 0.89 GSR (0.31) GSR
SCHEMBL21717118 0.88 GSR (0.37) GSR
SCHEMBL21168814 0.88 KDM4E (0.38) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL21168717 0.88 DHODH (0.36) KDM4EATML3MBTL1GSR
SCHEMBL21168876 0.87 KDM4E (0.41) KDM4EATML3MBTL1GSRPDE7A
SCHEMBL21168810 0.87 KDM4E (0.41) KDM4EATML3MBTL1GSRPDE7A
SCHEMBL21168843 0.87 KDM4E (0.34) KDM4EATML3MBTL1SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210328152-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-21 US disclosed
US-20200058882-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-20 US disclosed
US-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed
US-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-18 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-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME EPCAM, OR10J3, L1CAM KDM4E 763/4885ATM 1583/4885L3MBTL1 960/4885

“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.