SCHEMBL2787830

SCHEMBL2787830

O=C1Nc2ccc(-c3ccc4ccccc4c3)cc2C1=O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 9/20 0.73
▸ MAOB P27338 9/20 0.73
▸ PDE3B Q13370 1/20 0.59
▸ PDE3A Q14432 1/20 0.59
▸ SLC6A11 P48066 1/20 0.55
▸ TGM2 P21980 5/20 0.53
▸ CES1 P23141 4/20 0.50
▸ GSTP1 P09211 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL28316144 0.85 ACVR1 (0.57) MAOAMAOBPDE3BPDE3AGSTP1
SCHEMBL2789935 0.84 MAOA (1.00) MAOAMAOBPDE3BPDE3ASLC6A11
SCHEMBL3737924 0.78 MAOA (0.57) MAOAMAOBTGM2CES1ALDH1A1
SCHEMBL25367285 0.77 MAOA (0.74) MAOAMAOBPDE3BPDE3ASLC6A11
SCHEMBL30588923 0.77 MAOA (0.74) MAOAMAOBPDE3BPDE3ASLC6A11
Isatin SCHEMBL28193470 0.76 MAOA (0.87) MAOAMAOBTGM2CES1ALDH1A1
SCHEMBL2788548 0.76 MAOB (0.72) MAOAMAOBPDE3BPDE3ASLC6A11
SCHEMBL29906173 0.76 MAOB (0.72) MAOAMAOBPDE3BPDE3ASLC6A11
SCHEMBL4370977 0.76 CES1 (0.73) MAOAMAOBPDE3BPDE3ASLC6A11
SCHEMBL3521129 0.75 MAOA (0.71) MAOAMAOBPDE3BPDE3ASLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152455-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-06-17 — — US disclosed
CN-101641423-A Organometallic compound for electroluminescence and organic electroluminescent device using the same GRACEL DISPLAY INC KR 2010-02-03 — — CN disclosed
EP-2092040-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME Gracel Display Inc. (KR) 2009-08-26 — — EP disclosed
WO-2008082249-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2008-07-10 — — 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-20100152455-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME EPCAM, ORC3, L1CAM MAOA 1001/4885MAOB 1137/4885PDE3B 4735/4885

“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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