SCHEMBL21123726

SCHEMBL21123726

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5c4ccc4c(-c6ccccc6)cccc45)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
PPARG P37231 8/20 0.34
PPARA Q07869 8/20 0.34
CYP2C9 P11712 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
SCHEMBL26060975 0.97 CHRNB4 (0.35) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL24918973 0.97 MCL1 (0.38) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL24919726 0.97 CHRNB4 (0.37) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL21124232 0.97 MCL1 (0.37) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL24816483 0.95 CA12 (0.38) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL24918466 0.95 MCL1 (0.39) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL24918463 0.95 MCL1 (0.39) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL23224977 0.95 MCL1 (0.38) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL23237864 0.94 MCL1 (0.37) MCL1ACMSDCHRNB4CHRNA3CHRNA1
SCHEMBL21124212 0.94 PDK2 (0.35) PDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190207117-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-04 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 (1 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-20190207117-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE MAOA, MAOB, COMT MCL1 2558/4885ACMSD 1001/4885CHRNB4 466/4885

“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.