SCHEMBL7192543

SCHEMBL7192543

CCCCOc1cccc(C(=O)/C=C/c2cc(OCCCC)ccc2OCCCC)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.54
PTPN1 P18031 2/20 0.54
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
SMPD1 P17405 3/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
PLA2G4B P0C869 1/20 0.50
KMT2A Q03164 1/20 0.50
LTB4R Q15722 1/20 0.49
THRB P10828 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL7192546 1.00 DPP4 (0.54) DPP4PTPN1KEAP1NFE2L2SMPD1
SCHEMBL7194183 0.98 SMPD1 (0.54) DPP4PTPN1KEAP1NFE2L2SMPD1
SCHEMBL7187007 0.96 SMPD1 (0.56) DPP4PTPN1KEAP1NFE2L2SMPD1
SCHEMBL7189322 0.95 KMT2A (0.57) DPP4PTPN1KEAP1NFE2L2ABCG2
SCHEMBL7189333 0.95 KMT2A (0.57) DPP4PTPN1KEAP1NFE2L2ABCG2
SCHEMBL7195708 0.92 DPP4 (0.49) DPP4PTPN1KEAP1NFE2L2SMPD1
SCHEMBL7195711 0.92 DPP4 (0.49) DPP4PTPN1KEAP1NFE2L2SMPD1
SCHEMBL7192816 0.89 MAPT (0.53) DPP4PTPN1ABCG2KMT2A
SCHEMBL7192823 0.89 MAPT (0.53) DPP4PTPN1ABCG2KMT2A
SCHEMBL7193939 0.89 SMPD1 (0.50) DPP4PTPN1KEAP1NFE2L2SMPD1

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 DPP4 1733/4885PTPN1 872/4885KEAP1 345/4885

“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.