SCHEMBL5457259

SCHEMBL5457259

CCOC(=O)COc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.53
▸ PDE4B Q07343 7/20 0.53
▸ PDE4C Q08493 7/20 0.53
▸ PDE4D Q08499 7/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ PDE3B Q13370 2/20 0.53
▸ PDE3A Q14432 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ GAA P10253 1/20 0.51
▸ P2RY12 Q9H244 1/20 0.47

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
SCHEMBL5459285 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL16035326 0.83 NPSR1 (0.66) NPSR1HPGDHSD17B10GAAPOLB
SCHEMBL10638592 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL8207668 0.79 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL5632239 0.78 SRD5A2 (0.58) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL9064154 0.77 HPGD (0.69) NPSR1HPGDHSD17B10GAAPOLB
SCHEMBL16090177 0.77 NPSR1 (0.59) NPSR1HPGDHSD17B10GAAPOLB
SCHEMBL21991775 0.76 GAA (0.57) NPSR1HPGDCYP1A2CYP3A4TSHR
SCHEMBL5630998 0.76 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL707685 0.75 GAA (0.64) NPSR1HPGDHSD17B10GAAPOLB

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-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 — — US disclosed
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 — — US disclosed
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 — — US disclosed
WO-2004058726-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST β-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2004-07-15 — — 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-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase PDE3A, PDE4A, PDE3B PDE4A 2/4885PDE4B 6/4885PDE4C 9/4885

“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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