SCHEMBL7189044

SCHEMBL7189044

CCCCCOc1ccc(OCCCCC)c(C=CC(=O)c2cccc(OCCCCC)c2OCCCCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ALOX5 P09917 2/20 0.45
PTGES O14684 1/20 0.45
PPARG P37231 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
DPP4 P27487 1/20 0.44
PTPN1 P18031 1/20 0.44
AR P10275 1/20 0.44
PTPN11 Q06124 1/20 0.44
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7187065 0.99 CYSLTR2 (0.51) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7188232 0.98 ALOX5 (0.47) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7188236 0.98 ALOX5 (0.47) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7194870 0.93 AR (0.51) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7194861 0.93 AR (0.51) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7194150 0.90 LMNA (0.52) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7190721 0.89 LMNA (0.54) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7188127 0.88 AR (0.43) CYSLTR2ALOX5PTGESPTPN1AR
SCHEMBL7187067 0.88 PDE4A (0.50) CYSLTR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7195086 0.87 PDE4A (0.46) CYSLTR2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP claimed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 WO claimed

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 CYSLTR2 1675/4885PDE4A 3419/4885PDE4B 3413/4885

“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.