SCHEMBL6580209

SCHEMBL6580209

CCCCC(=O)c1c(-c2ccc3c(-c4ccc(C(F)(F)F)cc4)c(OCC(=O)OCC)ccc3c2)oc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
PTPN1 P18031 3/20 0.39
ANO1 Q5XXA6 1/20 0.37
PSEN1 P49768 2/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
BCHE P06276 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL6582342 0.92 KDM4E (0.43) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL6580396 0.92 PTPN1 (0.45) KDM4EALDH1A1PTPN1ANO1PSEN1
SCHEMBL6581848 0.87 ANO1 (0.38) MAPTPTPN1ANO1PSEN1ALOX5
SCHEMBL6579721 0.85 PTPN1 (0.48) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL6583844 0.85 KDM4E (0.43) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL6579740 0.84 PTPN1 (0.46) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL6583841 0.83 PSEN1 (0.37) PTPN1ANO1PSEN1ALOX5LMNA
SCHEMBL6582307 0.81 KDM4E (0.52) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL6579760 0.79 LMNA (0.39) KDM4EALDH1A1MAPTHPGDPTPN1
SCHEMBL6583890 0.78 PTPN1 (0.47) KDM4EALDH1A1MAPTGAAPTPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401822-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-31 EP disclosed
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US disclosed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US disclosed
WO-2003000671-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed

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-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) F2R, SERPINE1, SERPINC1 KDM4E 4021/4885ALDH1A1 1108/4885MAPT 4835/4885

“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.