SCHEMBL21969031

SCHEMBL21969031

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.40
EDNRA P25101 5/20 0.40
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
PTBP1 P26599 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
SMAD3 P84022 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20621541 1.00 EDNRB (0.40) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL18070187 1.00 EDNRB (0.40) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL13805299 0.98 EDNRB (0.39) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL21969029 0.97 EDNRB (0.38) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL23310483 0.97 EDNRB (0.40) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL22076618 0.97 MAPT (0.38) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL21959118 0.97 EDNRB (0.40) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL19152313 0.93 EDNRB (0.37) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL12455896 0.91 CYP1A2 (0.38) EDNRBEDNRAMAPTL3MBTL1LMNA
SCHEMBL21945899 0.91 MAPT (0.37) EDNRBEDNRAMAPTL3MBTL1LMNA

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-11877464-B2 Organic light emitting element LG CHEM, LTD. (KR) 2024-01-16 US disclosed
US-11877464-B2 Organic light emitting element LG CHEM, LTD. (KR) 2024-01-16 US disclosed
US-20200144552-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-05-07 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-11877464-B2 Organic light emitting element CACNA2D4, CYBA, L1CAM EDNRB 4771/4885EDNRA 4589/4885MAPT 2501/4885
US-20200144552-A1 ORGANIC LIGHT EMITTING ELEMENT CACNA2D4, CYBA, L1CAM EDNRB 4771/4885EDNRA 4589/4885MAPT 2501/4885

“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.