SCHEMBL21123748

SCHEMBL21123748

c1ccc(-c2cccc3c2ccc2c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ AHR P35869 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36

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
SCHEMBL21214786 0.99 MCL1 (0.40) MCL1ACMSDCA12CA1CA2
SCHEMBL18326959 0.97 CA12 (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL25777799 0.97 CA12 (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL21214861 0.97 MCL1 (0.39) MCL1ACMSDCA12CA1CA2
SCHEMBL21124043 0.96 MCL1 (0.40) MCL1ACMSDCA12CA1CA2
SCHEMBL18326952 0.96 MCL1 (0.40) MCL1ACMSDCA12CA1CA2
SCHEMBL18371314 0.96 AHR (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL17637205 0.96 AHR (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL21203376 0.95 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL24029600 0.95 AHR (0.38) MCL1ACMSDCA12CA1CA2

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 1001/4885CA12 4704/4885

“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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