SCHEMBL21397903

SCHEMBL21397903

Cc1cc(C)cc(-c2cccc(-c3nc(C(=O)c4nc(-c5cccc(-c6cc(C)cc(C)c6)c5)nc(-c5cc(-c6cc(C)cc(C)c6)cc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8nc(C(=O)c9nc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)nc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)n9)nc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)n8)c7)c6)c5)n4)nc(-c4cccc(-c5cc(C)cc(C)c5)c4)n3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
DHODH Q02127 4/20 0.43
KMO O15229 2/20 0.42
RORC P51449 1/20 0.42
MAPK14 Q16539 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 1/20 0.40
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
RAB9A P51151 1/20 0.40
SYK P43405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL132967 0.94 RAB9A (0.44) RXRARXRBDHODHKMORORC
SCHEMBL133749 0.88 KMO (0.53) DHODHKMOGRM5L3MBTL1
SCHEMBL12551824 0.88 KMO (0.53) DHODHKMOGRM5L3MBTL1
SCHEMBL133475 0.86 EGFR (0.46) DHODHKMOMAPTL3MBTL1
SCHEMBL12551833 0.83 KMO (0.53) RXRARXRBDHODHKMOMAPT
SCHEMBL12551667 0.83 KMO (0.53) RXRARXRBDHODHKMOMAPT
SCHEMBL10039117 0.83 KMO (0.53) RXRARXRBDHODHKMOMAPT
SCHEMBL4546948 0.83 L3MBTL1 (0.55) DHODHKMOMAPTRAB9AL3MBTL1
SCHEMBL4546942 0.83 L3MBTL1 (0.55) DHODHMAPTRAB9AL3MBTL1
SCHEMBL10128397 0.83 L3MBTL1 (0.55) DHODHMAPTRAB9AL3MBTL1

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 RXRA 2696/4885RXRB 2827/4885DHODH 3665/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 RXRA 2696/4885RXRB 2827/4885DHODH 3665/4885

“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.