SCHEMBL7187067

SCHEMBL7187067

CCCCCOc1ccc(OCCCCC)c(C=CC(=O)c2cc(OCCCCC)cc(OCCCCC)c2OCCCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.46
DPP4 P27487 1/20 0.45
PTPN1 P18031 1/20 0.45
HDAC8 Q9BY41 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ALOX5 P09917 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
PTPN11 Q06124 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTGES O14684 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL7191715 0.99 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCYSLTR2
SCHEMBL7190244 0.98 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCYSLTR2
SCHEMBL7190238 0.98 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCYSLTR2
SCHEMBL7189178 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL7189169 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL7196362 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCYSLTR2
SCHEMBL7188109 0.89 CYSLTR2 (0.43) PDE4APDE4BPDE4CPDE4DCYSLTR2
SCHEMBL7190211 0.89 DPP4 (0.44) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL7190220 0.89 DPP4 (0.44) PDE4APDE4BPDE4CPDE4DDPP4
SCHEMBL7189044 0.88 CYSLTR2 (0.49) PDE4APDE4BPDE4CPDE4DCYSLTR2

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 PDE4A 3419/4885PDE4B 3413/4885PDE4C 3836/4885

“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.