SCHEMBL21398039

SCHEMBL21398039

c1ccc(-c2ncc(-c3c(-c4cc(-c5ccccc5-c5ccc(-c6ccc7oc8ccccc8c7c6)nc5)cc(-c5ccccc5-c5ccc(-c6ccc7oc8ccccc8c7c6)nc5)c4)cccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc6oc7ccccc7c6c5)nc4)cc(-c4ccccc4-c4ccc(-c5ccc6oc7ccccc7c6c5)nc4)c3)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PLA2G2A P14555 2/20 0.36
PLA2G4A P47712 2/20 0.36
PLA2G10 O15496 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.34
CHEK2 O96017 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
HPGDS O60760 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21662179 0.89 HDAC6 (0.41) HSD17B1HSD17B2HDAC6PLA2G2APLA2G4A
SCHEMBL18015535 0.87 HSP90AA1 (0.43) HSD17B1HSD17B2HDAC6PLA2G2APLA2G4A
SCHEMBL21398029 0.87 ALOX5 (0.44) HDAC6ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL19933652 0.84 AHR (0.40) HSD17B1HSD17B2HSP90AA1HSP90AB1ALOX5
SCHEMBL21397962 0.83 NPC1 (0.44) HSD17B1HSD17B2HDAC6NPC1RAB9A
SCHEMBL19933658 0.83 HSP90AA1 (0.40) HSD17B1HSD17B2HDAC6HSP90AA1HSP90AB1
SCHEMBL19794433 0.81 HSD17B1 (0.39) HSD17B1HSD17B2HDAC6ALOX5HPGDS
SCHEMBL23239906 0.81 ALOX5 (0.47) HDAC6ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL21662180 0.80 NPC1 (0.38) HSD17B1HSD17B2HDAC6PLA2G2APLA2G4A
SCHEMBL19794373 0.80 AHR (0.41) HSD17B1HSD17B2ALOX5LMNANPC1

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 HSD17B1 4437/4885HSD17B2 4293/4885HDAC6 2503/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 HSD17B1 4437/4885HSD17B2 4293/4885HDAC6 2503/4885

“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.