SCHEMBL21123744

SCHEMBL21123744

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3ccc3c(-c5ccccc5)cccc34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
TNF P01375 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARG P37231 8/20 0.39
PPARA Q07869 8/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PPARD Q03181 1/20 0.39
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 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
SCHEMBL21123736 0.98 CA12 (0.42) CA12CA1CA2CA9TNF
SCHEMBL10136065 0.94 CA12 (0.46) CA12CA1CA2CA9TNF
SCHEMBL25089585 0.93 HPRT1 (0.41) CA12CA1CA2CA9TNF
SCHEMBL13903620 0.92 CA12 (0.45) CA12CA1CA2CA9TNF
SCHEMBL25088802 0.92 HPRT1 (0.44) CA12CA1CA2CA9HDAC8
SCHEMBL25731771 0.92 HPRT1 (0.44) CA12CA1CA2CA9HDAC8
SCHEMBL10136055 0.92 CA12 (0.45) CA12CA1CA2CA9TNF
SCHEMBL24154501 0.92 CA12 (0.45) CA12CA1CA2CA9TNF
SCHEMBL10135827 0.92 CA12 (0.45) CA12CA1CA2CA9TNF
SCHEMBL10136040 0.92 CA12 (0.45) CA12CA1CA2CA9TNF

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.