SCHEMBL7198567

SCHEMBL7198567

CCCCCCOc1cccc(C(=O)C=Cc2cc(CC)ccc2OCCCCCC)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.52
LTB4R Q15722 2/20 0.51
CYSLTR2 Q9NS75 1/20 0.50
PLA2G4B P0C869 2/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
KMT2A Q03164 1/20 0.46
PTPN1 P18031 2/20 0.45
DPP4 P27487 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL7193939 0.99 SMPD1 (0.50) SMPD1LTB4RCYSLTR2PLA2G4BTHRA
SCHEMBL7195708 0.96 DPP4 (0.49) SMPD1LTB4RCYSLTR2PLA2G4BTHRB
SCHEMBL7195711 0.96 DPP4 (0.49) SMPD1LTB4RCYSLTR2PLA2G4BTHRB
SCHEMBL7192441 0.92 KMT2A (0.52) KEAP1NFE2L2KMT2APTPN1DPP4
SCHEMBL7192442 0.92 KMT2A (0.52) KEAP1NFE2L2KMT2APTPN1DPP4
SCHEMBL7187007 0.91 SMPD1 (0.56) SMPD1LTB4RCYSLTR2PLA2G4BTHRA
SCHEMBL7192562 0.90 PLA2G2A (0.50) LTB4RCYSLTR2PTPN1DPP4
SCHEMBL7194183 0.90 SMPD1 (0.54) SMPD1LTB4RCYSLTR2PLA2G4BTHRA
SCHEMBL7193971 0.89 DPP4 (0.48) CYSLTR2PTPN1DPP4
SCHEMBL7192546 0.88 DPP4 (0.54) SMPD1LTB4RCYSLTR2PLA2G4BTHRB

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 2422/4885LTB4R 506/4885CYSLTR2 1675/4885

“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.