SCHEMBL13781045

SCHEMBL13781045

O=C(c1ccccc1)c1ccc2c(c1)C(c1ccc(-n3c4ccccc4c4ccccc43)cc1)(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.47
▸ PTPN1 P18031 2/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ ATM Q13315 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 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
SCHEMBL13781075 0.96 PDK2 (0.44) PDK2PTPN1CNR2L3MBTL1ATM
SCHEMBL13781068 0.95 PDK2 (0.41) PDK2PTPN1CNR2L3MBTL1ATM
SCHEMBL13781057 0.92 PDK2 (0.46) PDK2PTPN1CNR2L3MBTL1ATM
SCHEMBL10029960 0.92 L3MBTL1 (0.41) PDK2PTPN1L3MBTL1ATMKDM4E
SCHEMBL13781028 0.91 PDK2 (0.49) PDK2PTPN1CNR2L3MBTL1ATM
SCHEMBL13781093 0.91 PDK2 (0.49) PDK2PTPN1CNR2L3MBTL1ATM
SCHEMBL14681768 0.88 PDK2 (0.46) PDK2PTPN1CNR2L3MBTL1ATM
SCHEMBL13195918 0.87 PDK2 (0.40) PDK2PTPN1CNR2L3MBTL1ATM
SCHEMBL13781104 0.87 PDK2 (0.43) PDK2PTPN1CNR2L3MBTL1ATM
SCHEMBL364863 0.87 PDK2 (0.43) PDK2PTPN1CNR2L3MBTL1ATM

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 1068/4885PTPN1 3369/4885CNR2 4693/4885

“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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