SCHEMBL21168810

SCHEMBL21168810

c1ccc(-n2c3ccccc3c3cc4c5cc6ccccc6cc5n(-c5nc6ccccc6nc5-c5cc6ccccc6c6ccccc56)c4cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSR P00390 2/20 0.33
PDE7A Q13946 2/20 0.33
TERT O14746 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
KDR P35968 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PGR P06401 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE7B Q9NP56 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NISCH Q9Y2I1 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
SCHEMBL21168876 1.00 KDM4E (0.41) KDM4EATML3MBTL1GSRPDE7A
SCHEMBL21168812 0.90 KDM4E (0.40) KDM4EATML3MBTL1GSRTERT
SCHEMBL21168875 0.90 KDM4E (0.40) KDM4EATML3MBTL1GSRTERT
SCHEMBL21716915 0.90 GSR (0.34) KDM4EATML3MBTL1GSRTERT
SCHEMBL21716467 0.90 GSR (0.34) KDM4EATML3MBTL1GSRTERT
SCHEMBL21168715 0.88 KDM4E (0.43) KDM4EATML3MBTL1GSRMAPK1
SCHEMBL20031130 0.88 KDM4E (0.43) KDM4EATML3MBTL1GSRMAPK1
SCHEMBL21168809 0.87 KDM4E (0.38) KDM4EATML3MBTL1GSRPDE7A
SCHEMBL21168899 0.87 KDM4E (0.35) KDM4EATML3MBTL1GSRPDE7A
SCHEMBL21716931 0.86 GSR (0.44) GSRTERTNISCH

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.