SCHEMBL13780984

SCHEMBL13780984

CC1(C)c2cc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2-c2ccc(C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ HSPA1A P0DMV8 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 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
SCHEMBL14345114 0.91 CNR2 (0.40) PDK2CNR2KDM4EL3MBTL1ATM
SCHEMBL12116382 0.89 CNR2 (0.43) PDK2CNR2KDM4EL3MBTL1ATM
SCHEMBL13781091 0.87 PDK2 (0.39) PDK2CNR2KDM4EMAPTPOLB
SCHEMBL13781092 0.86 PDK2 (0.39) PDK2CNR2KDM4EMAPTPOLB
SCHEMBL12116411 0.85 PDK2 (0.40) PDK2CNR2KDM4EL3MBTL1ATM
SCHEMBL13780992 0.85 PDK2 (0.40) PDK2CNR2KDM4EL3MBTL1ATM
SCHEMBL21760524 0.85 KDM4E (0.48) KDM4EL3MBTL1ATMFOLH1TDP1
SCHEMBL17850894 0.83 L3MBTL1 (0.52) CNR2KDM4EL3MBTL1ATMFOLH1
SCHEMBL17851134 0.83 L3MBTL1 (0.55) CNR2KDM4EL3MBTL1ATMFOLH1
SCHEMBL12116386 0.83 PDK2 (0.43) PDK2CNR2KDM4EL3MBTL1ATM

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 1068/4885CNR2 4693/4885KDM4E 2189/4885

“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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