SCHEMBL21397943

SCHEMBL21397943

Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6cccc(-c7ccccc7)c6)cn5)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8cccc(-c9ccccc9)c8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8cccc(-c9ccccc9)c8)cn7)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)ncc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
ENPP3 O14638 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
GRM5 P41594 2/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TGFBR1 P36897 2/20 0.32
DYRK1A Q13627 2/20 0.32
TOP1 P11387 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21397958 0.96 GRM5 (0.38) LDHAENPP3IRAK4GRM5TGFBR1
SCHEMBL20007323 0.84 LDHA (0.45) LDHAENPP3IRAK4NPC1RAB9A
SCHEMBL22563336 0.82 LDHA (0.45) LDHAENPP3IRAK4NPC1RAB9A
SCHEMBL18015498 0.81 LDHA (0.40) LDHAENPP3IRAK4KDRGRM5
SCHEMBL21398036 0.80 LDHA (0.42) LDHANPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL18015496 0.80 LDHA (0.48) LDHANPC1KDRGRM5TGFBR1
SCHEMBL19833441 0.80 LDHA (0.50) LDHAENPP3IRAK4NPC1RAB9A
SCHEMBL19834632 0.79 LDHA (0.49) LDHAENPP3NPC1RAB9ASMN1; SMN2
SCHEMBL21202790 0.79 LDHA (0.51) LDHAENPP3IRAK4NPC1RAB9A
SCHEMBL18015381 0.79 LDHA (0.40) LDHAENPP3IRAK4TGFBR1ALDH1A1

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 LDHA 2122/4885ENPP3 930/4885IRAK4 4227/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 LDHA 2122/4885ENPP3 930/4885IRAK4 4227/4885

“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.