SCHEMBL21397867

SCHEMBL21397867

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7ccccc7)nc6)cc(-c6ccccc6-c6ccc(-c7ccccc7)nc6)c5)c4-c4ccc(-c5ccccn5)nc4)c3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.47
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CYP2A6 P11509 1/20 0.41
KDR P35968 1/20 0.40
CHEK2 O96017 1/20 0.40
TGFBR1 P36897 2/20 0.39
DHODH Q02127 1/20 0.39
PDK2 Q15119 1/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
P4HTM Q9NXG6 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 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
SCHEMBL21398057 0.94 HPGDS (0.43) HPGDSHSD17B1HSD17B2CYP2A6KDR
SCHEMBL19794441 0.93 HPGDS (0.52) HPGDSHSD17B1HSD17B2CYP2A6KDR
SCHEMBL18015360 0.90 HPGDS (0.49) HPGDSHSD17B1HSD17B2CYP2A6KDR
SCHEMBL21125929 0.88 CHEK2 (0.49) HPGDSCYP2A6KDRCHEK2TGFBR1
SCHEMBL21125087 0.88 HSD17B1 (0.49) HPGDSHSD17B1HSD17B2CYP2A6KDR
SCHEMBL20068613 0.88 CHEK2 (0.48) HPGDSHSD17B1HSD17B2CYP2A6KDR
SCHEMBL21125828 0.87 CHEK2 (0.49) HPGDSHSD17B1HSD17B2CYP2A6KDR
SCHEMBL12925598 0.87 KDM4E (0.52) HPGDSCYP2A6CHEK2TGFBR1PDK2
SCHEMBL21398036 0.86 LDHA (0.42) HPGDSHSD17B1HSD17B2NPC1RAB9A
SCHEMBL21721920 0.85 LDHA (0.50) HPGDSHSD17B1HSD17B2DHODHLDHA

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 HPGDS 4752/4885HSD17B1 4437/4885HSD17B2 4293/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 HPGDS 4752/4885HSD17B1 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.