SCHEMBL13781104

SCHEMBL13781104

O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3cc(C(=O)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.43
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ RORC P51449 1/20 0.34

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
SCHEMBL364863 1.00 PDK2 (0.43) PDK2KDM4EATML3MBTL1PTPN1
SCHEMBL13781028 0.96 PDK2 (0.49) PDK2KDM4EATML3MBTL1PTPN1
SCHEMBL13781093 0.96 PDK2 (0.49) PDK2KDM4EATML3MBTL1PTPN1
SCHEMBL13781057 0.95 PDK2 (0.46) PDK2KDM4EATML3MBTL1PTPN1
SCHEMBL19723627 0.93 LMNA (0.41) PDK2LMNAMAPTHTTCNR2
SCHEMBL13781092 0.93 PDK2 (0.39) PDK2KDM4ELMNAMAPTHTT
SCHEMBL13781091 0.92 PDK2 (0.39) PDK2KDM4ELMNAMAPTHTT
SCHEMBL13781068 0.91 PDK2 (0.41) PDK2KDM4EATML3MBTL1PTPN1
SCHEMBL10052045 0.91 PDK2 (0.37) PDK2KDM4EATML3MBTL1PTPN1
SCHEMBL12699696 0.90 PDK2 (0.37) PDK2PTPN1CNR2RORC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 — — US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 — — US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 — — US disclosed
US-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-02 — — US disclosed
WO-2007137725-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-12-06 — — WO 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-20090167166-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, OR10J3, PUF60 PDK2 1068/4885KDM4E 2189/4885ATM 3136/4885

“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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