SCHEMBL21123701

SCHEMBL21123701

c1ccc(-c2ccc3ccc4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)cc4c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ PLA2G2A P14555 3/20 0.36
▸ PLA2G4A P47712 3/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ PLA2G10 O15496 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ ALOX5 P09917 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
SCHEMBL21124319 0.99 CA12 (0.41) CA12CA1CA2CA9PLA2G2A
SCHEMBL21123729 0.97 CA12 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL21214817 0.97 CA12 (0.41) CA12CA1CA2CA9PLA2G2A
SCHEMBL21206199 0.97 CA12 (0.41) CA12CA1CA2CA9PLA2G2A
SCHEMBL21203486 0.97 CA12 (0.41) CA12CA1CA2CA9PLA2G2A
SCHEMBL21203483 0.95 CA12 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL21206097 0.95 CA12 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL21203451 0.95 CA12 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL21214791 0.94 CA12 (0.39) CA12CA1CA2CA9PLA2G2A
SCHEMBL21214790 0.94 CA12 (0.39) CA12CA1CA2CA9PLA2G2A

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.

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