SCHEMBL20689958

SCHEMBL20689958

c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc4N(c4cc5c6ccccc6n6c7ccccc7c(c4)c56)c4ccccc4-c4ccccc43)c3ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22751641 0.94 — —
SCHEMBL21453524 0.92 KDM4E (0.36) ALDH1A1KDM4EATML3MBTL1
SCHEMBL20689946 0.91 KDM4E (0.35) ALDH1A1KDM4EATML3MBTL1
SCHEMBL20689809 0.85 — —
SCHEMBL22751657 0.84 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL13964149 0.83 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL21453527 0.82 KDM4E (0.33) ALDH1A1KDM4EATML3MBTL1
SCHEMBL20689826 0.82 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL22751639 0.82 PDK2 (0.34) —
SCHEMBL22751627 0.81 KDM4E (0.32) ALDH1A1KDM4E

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-20190036034-A1 COMPOUND FOR THERMALLY ACTIVATED DELAYED FLUORESCENCE AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 — — 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-20190036034-A1 COMPOUND FOR THERMALLY ACTIVATED DELAYED FLUORESCENCE AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME TRPA1, SLCO2A1, TMEM109 ALDH1A1 81/4885CES2 760/4885BCHE 3750/4885

“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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