SCHEMBL21398036

SCHEMBL21398036

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7ccccc7)nc6)cc(-c6ccccc6-c6ccc(-c7ccccc7)nc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
NPC1 O15118 3/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGDS O60760 6/20 0.38
BAZ2B Q9UIF8 1/20 0.38
MEN1 O00255 1/20 0.36
NTSR1 P30989 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL21397962 0.92 NPC1 (0.44) LDHAHSD17B1HSD17B2NPC1NFKB1
SCHEMBL21397867 0.86 HPGDS (0.47) LDHAHSD17B1HSD17B2NPC1RAB9A
SCHEMBL21398063 0.85 HPGDS (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL22563408 0.84 MEN1 (0.44) LDHAHSD17B1HSD17B2NPC1RAB9A
SCHEMBL20006932 0.84 GRM5 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL21721921 0.84 NPC1 (0.48) LDHAHSD17B1HSD17B2NPC1NFKB1
SCHEMBL21125931 0.83 HSD17B1 (0.56) LDHAHSD17B1HSD17B2HPGDSBAZ2B
SCHEMBL19933578 0.83 LDHA (0.52) LDHAHSD17B1HSD17B2HPGDSBAZ2B
SCHEMBL18015574 0.83 LDHA (0.52) LDHAHSD17B1HSD17B2HPGDSBAZ2B
SCHEMBL21721920 0.82 LDHA (0.50) LDHAHSD17B1HSD17B2HPGDSBAZ2B

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 LDHA 2122/4885HSD17B1 4437/4885HSD17B2 4293/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 LDHA 2122/4885HSD17B1 4437/4885HSD17B2 4293/4885

“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.