SCHEMBL21397889

SCHEMBL21397889

Cc1cc(C)cc(-c2cccc(-c3cc(C(=O)c4cc(-c5cccc(-c6cc(C)cc(C)c6)c5)cc(-c5ccc(-c6ccc(-c7cc(C(=O)c8cc(-c9ccccc9C(C)C)cc(-c9ccccc9C(C)C)c8)cc(-c8ccccc8C(C)C)c7)c(C(C)C)c6)c(-c6cc(C)cc(C)c6)c5)c4)cc(-c4cccc(-c5cc(C)cc(C)c5)c4)c3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
FFAR1 O14842 3/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
DHODH Q02127 2/20 0.35
CNR1 P21554 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PTPN5 P54829 1/20 0.33
ALOX5AP P20292 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
SCHEMBL132892 0.79 GABRA1 (0.53) FFAR1GABRA1GABRB1PPARAPPARG
SCHEMBL23913139 0.75 KMO (0.51) DHODHLMNAHTTSMN1; SMN2FEN1
SCHEMBL134233 0.74 DHODH (0.54) CNR2DHODHCNR1LMNARXRA
SCHEMBL12551716 0.73 KMO (0.53) DHODHLMNAHTTSMN1; SMN2FEN1
SCHEMBL24380029 0.73 KMO (0.49) DHODHLMNAHTTSMN1; SMN2
SCHEMBL7422808 0.73 TPMT (0.47) GABRA1GABRB1PPARAPPARGDHODH
SCHEMBL12551719 0.72 KMO (0.55) DHODHLMNAHTTSMN1; SMN2FEN1
SCHEMBL12551721 0.72 KMO (0.50) DHODHLMNAHTTSMN1; SMN2
SCHEMBL12551790 0.72 KMO (0.50) DHODHLMNAHTTSMN1; SMN2
SCHEMBL23018874 0.72 DHODH (0.59) CNR2DHODHCNR1RXRARXRB

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 2 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

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 CNR2 3775/4885FFAR1 4806/4885GABRA1 766/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 CNR2 3775/4885FFAR1 4806/4885GABRA1 766/4885

“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.