SCHEMBL3595606

SCHEMBL3595606

CN(CCC(C=Cc1ccccc1OCCCCCc1ccccc1)Cc1ccc(C(=O)O)cc1)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
PLA2G4B P0C869 1/20 0.40
CYSLTR1 Q9Y271 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
SLC6A9 P48067 2/20 0.37
FFAR1 O14842 1/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PSMD14 O00487 1/20 0.36

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
SCHEMBL3595602 1.00 LTA4H (0.42) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL3595599 1.00 LTA4H (0.42) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL13443464 0.89 PLA2G4B (0.40) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL3484740 0.87 PLA2G4B (0.47) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL3485010 0.87 PLA2G4B (0.47) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL3485012 0.87 PLA2G4B (0.47) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL3484738 0.87 PLA2G4B (0.47) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL3484264 0.86 PTGER1 (0.48) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL3484259 0.86 PTGER1 (0.48) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL3598347 0.84 LTA4H (0.44) LTA4HPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA LTA4H 2385/4885PDE4A 1833/4885PDE4B 1835/4885

“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.