SCHEMBL21398041

SCHEMBL21398041

CC(C)(C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C(C)(C)C)nc5)nc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7ccc(C(C)(C)C)nc7)nc6)cc(-c6ccccc6-c6ccc(-c7ccc(C(C)(C)C)nc7)nc6)c5)c4-c4cnc(-c5ccccc5)nc4)c3)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
LDHA P00338 1/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
BAZ2B Q9UIF8 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
SCHEMBL21721916 0.89 ALOX5AP (0.39) ALOX5APFEN1LDHANPC1NFKB1
SCHEMBL19794445 0.88 LDHA (0.43) HPGDSALOX5APFEN1LDHAHSD17B1
SCHEMBL21397962 0.86 NPC1 (0.44) HPGDSLDHANPC1NFKB1RAB9A
SCHEMBL19933579 0.85 FEN1 (0.43) HPGDSALOX5APFEN1LDHANPC1
SCHEMBL20007065 0.83 ALOX5AP (0.34) ALOX5APFEN1HSD17B1HSD17B2
SCHEMBL19933615 0.83 ALOX5AP (0.40) ALOX5APFEN1HSD17B1HSD17B2
SCHEMBL19794461 0.80 ALOX5AP (0.40) ALOX5APFEN1LDHANPC1HSD17B1
SCHEMBL21125647 0.79 TRPV1 (0.40) HPGDSALOX5APFEN1NPC1RAB9A
SCHEMBL21398036 0.79 LDHA (0.42) HPGDSLDHANPC1NFKB1RAB9A
SCHEMBL21398044 0.77 HSD17B1 (0.39) HPGDSALOX5APFEN1LDHANPC1

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 4752/4885ALOX5AP 3921/4885FEN1 1734/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 HPGDS 4752/4885ALOX5AP 3921/4885FEN1 1734/4885

“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.