SCHEMBL21397864

SCHEMBL21397864

CC(C)(C)c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ncn5)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-c7cc(C(C)(C)C)ncn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C(C)(C)C)ncn7)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)ncn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
FAAH O00519 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ADRB2 P07550 1/20 0.31
MIF P14174 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30

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
SCHEMBL20006914 0.93 TRPV1 (0.33) TRPV1FAAH
SCHEMBL21125938 0.85 MIF (0.38) TRPV1FAAHCLK4MIFASIC3
SCHEMBL19933704 0.82 KMO (0.35) FAAHMIFASIC3
SCHEMBL21397935 0.82 TRPV1 (0.36) TRPV1EDNRBEDNRACLK4ADRB2
SCHEMBL19933657 0.81 ALOX5AP (0.39) FAAHMIFASIC3
SCHEMBL21721922 0.79 FAAH (0.36) FAAHMIFASIC3
SCHEMBL20006932 0.78 GRM5 (0.41) ADRB2
SCHEMBL19933626 0.74 MAPK1 (0.42) TRPV1FAAHMIFASIC3
SCHEMBL21398047 0.74 TOP1 (0.40) ADRB2
SCHEMBL2129121 0.73 ASIC3 (0.53) FAAHMIFASIC3

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 TRPV1 862/4885EDNRB 3494/4885EDNRA 2648/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 TRPV1 862/4885EDNRB 3494/4885EDNRA 2648/4885

“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.