SCHEMBL22945000

SCHEMBL22945000

c1ccc2c3c(ccc2c1)N(c1nc(-c2ccc(-c4cccc5cccnc45)cc2)c2ccccc2n1)c1cccc2cccc-3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
PDE10A Q9Y233 1/20 0.34
PDE6D O43924 1/20 0.33
KMT2A Q03164 2/20 0.32
DHODH Q02127 3/20 0.32
GAA P10253 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TOP2A P11388 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
SCHEMBL21515299 0.92 PDE10A (0.36) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL21515476 0.89 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL21515295 0.88 PDE6D (0.34) POLBATMPDE6DKMT2AMEN1
SCHEMBL22945005 0.88 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL22944865 0.88 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL22945113 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL22945336 0.86 HPGD (0.36) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL22945734 0.84 KDM4E (0.32) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL21515277 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL22945727 0.83 TGFBR1 (0.38) ALDH1A1L3MBTL1KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 ALDH1A1 271/4885L3MBTL1 339/4885KDM4E 1857/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALDH1A1 271/4885L3MBTL1 339/4885KDM4E 1857/4885

“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.