SCHEMBL13780992

SCHEMBL13780992

CC1(C)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ATM Q13315 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ RXRG P48443 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
SCHEMBL14345114 0.93 CNR2 (0.40) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL13780984 0.85 PDK2 (0.40) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL12116382 0.84 CNR2 (0.43) PDK2CNR2ALDH1A1SMN1; SMN2GLA
SCHEMBL17692346 0.82 KDM4E (0.38) PDK2HDAC4KDM4EL3MBTL1ATM
SCHEMBL17692379 0.80 KDM4E (0.36) PDK2HDAC4KDM4EL3MBTL1ATM
SCHEMBL12865721 0.80 KDM4E (0.38) PDK2HDAC4KDM4EL3MBTL1ATM
SCHEMBL17691629 0.80 KDM4E (0.36) PDK2HDAC4RXRARXRBKDM4E
SCHEMBL17692373 0.79 KDM4E (0.35) PDK2KDM4EL3MBTL1ATM
SCHEMBL17692350 0.79 KDM4E (0.35) PDK2KDM4EL3MBTL1ATM
SCHEMBL22814606 0.79 KDM4E (0.36) PDK2ALDH1A1SMN1; SMN2HDAC4KDM4E

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 4693/4885ALDH1A1 504/4885

“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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