SCHEMBL20007065

SCHEMBL20007065

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(-n5cccc5)nc4)c3)cn2)cn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.34
FEN1 P39748 9/20 0.34
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL20007062 0.85 HSD17B1 (0.38) FEN1HSD17B1HSD17B2
SCHEMBL21397861 0.83
SCHEMBL21398041 0.83 HPGDS (0.36) ALOX5APFEN1HSD17B1HSD17B2
SCHEMBL19933579 0.82 FEN1 (0.43) ALOX5APFEN1HSD17B1HSD17B2
SCHEMBL19933615 0.80 ALOX5AP (0.40) ALOX5APFEN1HSD17B1HSD17B2
SCHEMBL19794445 0.80 LDHA (0.43) ALOX5APFEN1HSD17B1HSD17B2
SCHEMBL19794461 0.78 ALOX5AP (0.40) ALOX5APFEN1HSD17B1HSD17B2
SCHEMBL21721916 0.77 ALOX5AP (0.39) ALOX5APFEN1HSD17B1HSD17B2
SCHEMBL20007064 0.75 KDR (0.35) HSD17B1HSD17B2
SCHEMBL21125647 0.72 TRPV1 (0.40) ALOX5APFEN1

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
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2018054798-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-29 WO 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 ALOX5AP 3921/4885FEN1 1734/4885HSD17B1 4437/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 ALOX5AP 3921/4885FEN1 1734/4885HSD17B1 4437/4885

“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.