SCHEMBL4884952

SCHEMBL4884952

CC(C)(C)C(=O)Oc1ccc(CCOCCCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.56
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL8266413 0.88 ELANE (0.42) ELANEPPARGTHRB
SCHEMBL4881156 0.86 ELANE (0.56) ELANEPPARATHRB
SCHEMBL14227054 0.80 ELANE (0.43) ELANETHRB
SCHEMBL23836711 0.78 ELANE (0.65) ELANEPPARGPPARATHRB
SCHEMBL10973406 0.77 ELANE (0.73) ELANE
SCHEMBL4888012 0.76 ELANE (0.71) ELANEPPARA
SCHEMBL4889966 0.75 ESR1 (0.48)
SCHEMBL18566937 0.74 ELANE (0.69) ELANEPPARATHRB
SCHEMBL9328951 0.74 ELANE (0.69) ELANE
SCHEMBL10483720 0.73 ELANE (1.00) ELANE

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-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ARTESIAN THERAPEUTICS, INC. (US) 2008-04-17 US disclosed
US-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ARTESIAN THERAPEUTICS, INC. (US) 2008-04-17 US disclosed
EP-1830852-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2007-09-12 EP disclosed
WO-2006060127-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 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-20080090827-A1 Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure ADRB3, PDE3A, PDE3B ELANE 3081/4885PPARG 1244/4885PPARA 1568/4885

“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.