SCHEMBL7194183

SCHEMBL7194183

CCCCCOc1cccc(C(=O)C=Cc2cc(OCCCCC)ccc2OCCCCC)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.54
PLA2G4B P0C869 1/20 0.54
LTB4R Q15722 2/20 0.53
PTPN1 P18031 2/20 0.52
DPP4 P27487 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
KMT2A Q03164 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
NR1H4 Q96RI1 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
SCHEMBL7187007 0.99 SMPD1 (0.56) SMPD1PLA2G4BLTB4RPTPN1DPP4
SCHEMBL7192546 0.98 DPP4 (0.54) SMPD1PLA2G4BLTB4RPTPN1DPP4
SCHEMBL7192543 0.98 DPP4 (0.54) SMPD1PLA2G4BLTB4RPTPN1DPP4
SCHEMBL7189333 0.93 KMT2A (0.57) PTPN1DPP4KEAP1NFE2L2KMT2A
SCHEMBL7189322 0.93 KMT2A (0.57) PTPN1DPP4KEAP1NFE2L2KMT2A
SCHEMBL7193939 0.91 SMPD1 (0.50) SMPD1PLA2G4BLTB4RPTPN1DPP4
SCHEMBL7198567 0.90 SMPD1 (0.52) SMPD1PLA2G4BLTB4RPTPN1DPP4
SCHEMBL7195711 0.90 DPP4 (0.49) SMPD1PLA2G4BLTB4RPTPN1DPP4
SCHEMBL7195708 0.90 DPP4 (0.49) SMPD1PLA2G4BLTB4RPTPN1DPP4
SCHEMBL8445255 0.87 ABCG2 (0.63) PTPN1DPP4KEAP1NFE2L2ABCG2

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 SMPD1 2422/4885PLA2G4B 2127/4885LTB4R 506/4885

“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.