SCHEMBL13781028

SCHEMBL13781028

O=C(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.49
▸ CNR2 P34972 2/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ ATM Q13315 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GLA P06280 1/20 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
SCHEMBL13781093 1.00 PDK2 (0.49) PDK2CNR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13781104 0.96 PDK2 (0.43) PDK2CNR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL364863 0.96 PDK2 (0.43) PDK2CNR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13781057 0.94 PDK2 (0.46) PDK2CNR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13781045 0.91 PDK2 (0.47) PDK2CNR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13781076 0.91 PDK2 (0.41) PDK2CNR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19723627 0.90 LMNA (0.41) PDK2CNR2LMNAMAPTRORC
SCHEMBL13781092 0.90 PDK2 (0.39) PDK2CNR2LMNAMAPTKDM4E
SCHEMBL14681768 0.90 PDK2 (0.46) PDK2CNR2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14681781 0.89 PDK2 (0.46) PDK2CNR2L3MBTL1ALDH1A1SMN1; SMN2

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 4693/4885L3MBTL1 3570/4885

“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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