SCHEMBL5632239

SCHEMBL5632239

Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.58
▸ MAOB P27338 1/20 0.56
▸ NR4A1 P22736 1/20 0.55
▸ NR4A2 P43354 1/20 0.55
▸ NR4A3 Q92570 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PARP10 Q53GL7 1/20 0.52
▸ PDE4A P27815 5/20 0.52
▸ PDE4B Q07343 5/20 0.52
▸ PDE4C Q08493 5/20 0.52
▸ PDE4D Q08499 5/20 0.52
▸ PLA2G4B P0C869 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL5632299 0.89 L3MBTL1 (0.48) SRD5A2MAOBNR4A1NR4A2NR4A3
SCHEMBL5459285 0.84 PDE4A (0.57) NR4A1SMN1; SMN2ALDH1A1L3MBTL1PDE4A
SCHEMBL3232949 0.79 SRD5A2 (0.90) SRD5A2MAOBNR4A1NR4A2NR4A3
SCHEMBL5457259 0.78 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL402300 0.77 SRD5A2 (0.87) SRD5A2MAOBNR4A1NR4A2NR4A3
SCHEMBL5457930 0.76 PDE4A (0.69) SRD5A2SMN1; SMN2HTTL3MBTL1PDE4A
SCHEMBL5630998 0.75 PDE4A (0.50) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL3415530 0.74 SRD5A2 (0.81) SRD5A2MAOBNR4A1NR4A2NR4A3
SCHEMBL10876870 0.74 NPC1 (0.47) SRD5A2MAOBSMN1; SMN2ALDH1A1PLA2G4B
SCHEMBL31556120 0.74 ALDH1A1 (0.78) SRD5A2MAOBNR4A1NR4A2NR4A3

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 7 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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 — — US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 — — US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 — — 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
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 — — 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 (2 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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B SRD5A2 1144/4885MAOB 193/4885NR4A1 1052/4885
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase PDE3A, PDE4A, PDE3B SRD5A2 1207/4885MAOB 740/4885NR4A1 1379/4885

“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.

Send feedback