SCHEMBL6579998

SCHEMBL6579998

CCOC(=O)COc1ccc2cc(-c3oc4ccccc4c3C(=O)CC(C)(C)C)ccc2c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
PTPN1 P18031 4/20 0.43
RXFP1 Q9HBX9 3/20 0.41
PRNP P04156 3/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR9 Q9NR96 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL6581762 0.90 PTPN1 (0.51) KDM4EALDH1A1HPGDGAAPTPN1
SCHEMBL6579721 0.89 PTPN1 (0.48) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6583691 0.86 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6581952 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL5340347 0.82 F9 (0.41) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6583913 0.82 PTPN1 (0.55) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6581329 0.81 PTPN1 (0.43) KDM4EALDH1A1HPGDMAPTPTPN1
SCHEMBL6583282 0.80 PTPN1 (0.46) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6581487 0.79 PTPN1 (0.58) KDM4EALDH1A1GAAPTPN1RXFP1
SCHEMBL6583844 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTGAA

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 1108/4885HPGD 1320/4885

“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.