SCHEMBL21123700

SCHEMBL21123700

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5cc(-c6ccccc6)ccc54)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
MCL1 Q07820 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MPI P34949 1/20 0.40
KMT2A Q03164 1/20 0.40
TNF P01375 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL21123704 1.00 CA12 (0.47) CA12CA1CA2CA9HSD17B1
SCHEMBL21123723 0.97 CA12 (0.49) CA12CA1CA2CA9HSD17B1
SCHEMBL21123727 0.97 CA12 (0.49) CA12CA1CA2CA9HSD17B1
SCHEMBL25608183 0.97 CA12 (0.49) CA12CA1CA2CA9HSD17B1
SCHEMBL25088793 0.96 CA12 (0.43) CA12CA1CA2CA9HSD17B1
SCHEMBL21124320 0.96 CA12 (0.46) CA12CA1CA2CA9HSD17B1
SCHEMBL21124580 0.96 CA12 (0.46) CA12CA1CA2CA9HSD17B1
SCHEMBL26054911 0.96 CA12 (0.48) CA12CA1CA2CA9HSD17B1
SCHEMBL26054829 0.96 CA12 (0.45) CA12CA1CA2CA9HSD17B1
SCHEMBL26062301 0.95 CA12 (0.45) CA12CA1CA2CA9HSD17B1

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 CA12 4704/4885CA1 4088/4885CA2 4490/4885

“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.