SCHEMBL4884524

SCHEMBL4884524

ClCCCOCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
EPHX2 P34913 1/20 0.58
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
BCHE P06276 6/20 0.52
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOB P27338 1/20 0.50
MGLL Q99685 2/20 0.49

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
SCHEMBL6895507 0.94 LTA4H (0.55) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL7239389 0.87 MEN1 (0.46)
SCHEMBL4030630 0.86 MAOB (0.57) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL6191729 0.85 LTA4H (0.72) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL4094384 0.85 LMNA (0.62) LTA4HEPHX2BCHELMNACYP1A2
SCHEMBL11129953 0.84 TDP1 (0.68) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL10795544 0.83 FOXM1 (0.57) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL2023885 0.83 LTA4H (0.64) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL4743351 0.83 LTA4H (0.69) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL9483961 0.81 FFAR1 (0.57) LTA4HEPHX2FFAR1

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-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
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
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 LTA4H 1015/4885EPHX2 408/4885FFAR1 376/4885

“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.