SCHEMBL6582674

SCHEMBL6582674

CCOC(=O)COc1cc(Br)c2cc(-c3oc4ccccc4c3C(=O)CC(C)C)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
ALOX5 P09917 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
ATM Q13315 2/20 0.37
PRNP P04156 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
SCHEMBL6581496 0.90 KDM4E (0.44) KDM4EALDH1A1GAAL3MBTL1ANO1
SCHEMBL6583608 0.81 EYA3 (0.42) ALDH1A1HPGDMAPTALOX5HSD17B10
SCHEMBL6580058 0.78 L3MBTL1 (0.55) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL6581952 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6582307 0.77 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6580094 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6582381 0.74 L3MBTL1 (0.43) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6579998 0.74 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6579721 0.73 PTPN1 (0.48) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6579423 0.71 PTPN1 (0.40) KDM4EALDH1A1HPGDMAPTTP53

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.