SCHEMBL21716239

SCHEMBL21716239

c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5nc4-c4cccc(-n5c6ccccc6c6cc7c(-n8c9ccccc9c9c%10ccccc%10ccc98)cccc7cc65)c4)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSR P00390 2/20 0.33
PTGER4 P35408 1/20 0.33
NPY5R Q15761 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
NPY2R P49146 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21716903 0.95 GSR (0.33) PTGESGSRNPC1ALDH1A1LMNA
SCHEMBL21716831 0.94 L3MBTL1 (0.38) KDM4EATML3MBTL1GSRPTGER4
SCHEMBL21716473 0.92 GSR (0.39) KDM4EATML3MBTL1GSRPTGER4
SCHEMBL21716901 0.92 GSR (0.32) GSRNPC1ALDH1A1LMNAMAPT
SCHEMBL21716879 0.92 GSR (0.34) PTGESKDM4EATML3MBTL1GSR
SCHEMBL21716285 0.91 KDM4E (0.34) PTGESKDM4EATML3MBTL1GSR
SCHEMBL21716819 0.90 GSR (0.36) KDM4EATML3MBTL1GSRALDH1A1
SCHEMBL18877056 0.89 L3MBTL1 (0.41) PTGESKDM4EATML3MBTL1PTGER4
SCHEMBL21717275 0.88 MEN1 (0.34) PTGESATMMEN1KMT2A
SCHEMBL21716265 0.88 GSR (0.39) KDM4EATML3MBTL1GSRALDH1A1

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 PTGES 1203/4885KDM4E 1813/4885ATM 3428/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 PTGES 1203/4885KDM4E 1813/4885ATM 3428/4885

“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.