SCHEMBL5630998

SCHEMBL5630998

Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(OCC2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.50
PDE4B Q07343 7/20 0.50
PDE4C Q08493 7/20 0.50
PDE4D Q08499 7/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
ATM Q13315 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL10350238 0.80 ALDH1A1 (0.60) HPGDTSHRCYP1A2CYP3A4MAPT
SCHEMBL12517400 0.80 ALDH1A1 (0.60) HPGDTSHRCYP1A2CYP3A4MAPT
SCHEMBL5459285 0.79 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL9774931 0.79 RAB9A (0.57) HPGDTSHRCYP1A2CYP3A4MAPT
SCHEMBL5457259 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL5632239 0.75 SRD5A2 (0.58) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL12319180 0.74 TDP1 (0.67) HPGDTSHRCYP1A2CYP3A4MAPT
SCHEMBL1160078 0.74 TDP1 (0.67) HPGDTSHRCYP1A2CYP3A4MAPT
SCHEMBL2222829 0.74 PKM (0.54) HPGDTSHRCYP1A2CYP3A4MAPT
SCHEMBL10733109 0.74 ALDH1A1 (0.62) HPGDTSHRCYP1A2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP 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
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 (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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B PDE4A 7/4885PDE4B 8/4885PDE4C 14/4885

“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.