SCHEMBL21716468

SCHEMBL21716468

c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-n4c5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c5cc6ccccc6cc54)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGER4 P35408 3/20 0.36
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
NPY5R Q15761 2/20 0.33
MAT2A P31153 1/20 0.33
GSR P00390 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TERT O14746 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HDAC4 P56524 1/20 0.31
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL21716817 1.00 KDM4E (0.39) KDM4EATML3MBTL1PTGER4ESR1
SCHEMBL21213312 0.96 L3MBTL1 (0.43) KDM4EATML3MBTL1PTGER4ESR1
SCHEMBL21212911 0.93 KDM4E (0.43) KDM4EATML3MBTL1PTGER4ESR1
SCHEMBL23471696 0.93 PTGES (0.34) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL21716483 0.93 KDM4E (0.34) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL21716977 0.93 PTGES (0.34) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL21716264 0.93 KDM4E (0.38) KDM4EATML3MBTL1PTGER4ESR1
SCHEMBL21717054 0.92 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4ESR1
SCHEMBL21716201 0.92 PTGER4 (0.34) KDM4EATML3MBTL1PTGER4ESR1
SCHEMBL21454964 0.92 L3MBTL1 (0.44) KDM4EATML3MBTL1PTGER4NPY5R

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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 (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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 KDM4E 1813/4885ATM 3428/4885L3MBTL1 1427/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 KDM4E 1813/4885ATM 3428/4885L3MBTL1 1427/4885

“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.