SCHEMBL21397958

SCHEMBL21397958

Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6cccc(-c7ccccc7)c6)cn5)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7ccccn7)cc6)cc(-c6ccccc6-c6ccc(-c7ccccn7)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)ncc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
LDHA P00338 1/20 0.38
TGFBR1 P36897 8/20 0.36
ENPP3 O14638 1/20 0.33
HPGDS O60760 1/20 0.33
MAPK14 Q16539 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL21397943 0.96 LDHA (0.40) GRM5LDHATGFBR1ENPP3IRAK4
SCHEMBL18015496 0.87 LDHA (0.48) GRM5LDHATGFBR1HPGDS
SCHEMBL18015498 0.86 LDHA (0.40) GRM5LDHATGFBR1ENPP3MAPK14
SCHEMBL20006932 0.83 GRM5 (0.41) GRM5
SCHEMBL18015497 0.81 GRM5 (0.42) GRM5LDHATGFBR1MAPK14
SCHEMBL21020819 0.81 LDHA (0.43) GRM5LDHATGFBR1
SCHEMBL20007323 0.81 LDHA (0.45) LDHAENPP3IRAK4
SCHEMBL21398063 0.81 HPGDS (0.46) GRM5TGFBR1HPGDS
SCHEMBL21398036 0.79 LDHA (0.42) LDHAHPGDS
SCHEMBL22563336 0.79 LDHA (0.45) LDHAENPP3IRAK4

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP 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 GRM5 1797/4885LDHA 2122/4885TGFBR1 3855/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 GRM5 1797/4885LDHA 2122/4885TGFBR1 3855/4885

“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.