SCHEMBL7196595

SCHEMBL7196595

CCCCCCOc1ccc(OCCCCCC)c(C(=O)C=Cc2cc(CC)ccc2OCCCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.52
PTPN11 Q06124 4/20 0.45
XDH P47989 1/20 0.45
PTPN1 P18031 2/20 0.44
DPP4 P27487 1/20 0.44
PTPN6 P29350 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL7193786 0.99 CYSLTR2 (0.50) CYSLTR2PTPN11XDHPTPN1DPP4
SCHEMBL7192518 0.97 XDH (0.47) CYSLTR2XDHPTPN1DPP4PDE4A
SCHEMBL7192515 0.97 XDH (0.47) CYSLTR2XDHPTPN1DPP4PDE4A
SCHEMBL7193637 0.92 XDH (0.47) CYSLTR2XDHPTPN1DPP4PDE4A
SCHEMBL7193628 0.92 XDH (0.47) CYSLTR2XDHPTPN1DPP4PDE4A
SCHEMBL7188109 0.88 CYSLTR2 (0.43) CYSLTR2PTPN11PTPN1DPP4PTPN6
SCHEMBL7196610 0.88 LMNA (0.53) CYSLTR2PTPN11PTPN1PTPN6MAOB
SCHEMBL7196362 0.87 PDE4A (0.42) CYSLTR2PTPN11PTPN1DPP4PTPN6
SCHEMBL7194138 0.86 CYP3A4 (0.51) CYSLTR2PTPN11PTPN1PTPN6PDE4A
SCHEMBL7192812 0.86 XDH (0.60) XDHDPP4PDE4APDE4BPDE4C

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 1675/4885PTPN11 2391/4885XDH 319/4885

“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.