SCHEMBL5459285

SCHEMBL5459285

Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.57
PDE4B Q07343 7/20 0.57
PDE4C Q08493 7/20 0.57
PDE4D Q08499 7/20 0.57
ALOX15 P16050 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
ATM Q13315 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NR4A1 P22736 1/20 0.46
APEX1 P27695 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
SCHEMBL5457259 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL5632239 0.84 SRD5A2 (0.58) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL8207668 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL10635511 0.80 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL5630998 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL7339717 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL16035699 0.78 ALOX15 (0.65) ALOX15TSHRNR4A1APEX1SMN1; SMN2
SCHEMBL5632117 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL5457930 0.77 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL27686481 0.77 SMN1; SMN2 (0.59) ALOX15HPGDNR4A1APEX1SMN1; 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 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.