SCHEMBL6583282

SCHEMBL6583282

CCOC(=O)COc1ccc2cc(-c3oc4ccccc4c3CCC3CCCC3)ccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.46
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
RXFP1 Q9HBX9 5/20 0.40
PRNP P04156 3/20 0.40
ESR1 P03372 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL6580067 0.90 PTPN1 (0.53) PTPN1KDM4EALDH1A1GAARXFP1
SCHEMBL6583913 0.87 PTPN1 (0.55) PTPN1KDM4EMAPTALDH1A1GAA
SCHEMBL6583691 0.86 KDM4E (0.41) PTPN1KDM4EMAPTALDH1A1GAA
SCHEMBL6582969 0.82 PTPN1 (0.39) PTPN1MAPTRXFP1TP53KMT2A
SCHEMBL6579998 0.80 KDM4E (0.44) PTPN1KDM4EMAPTALDH1A1GAA
SCHEMBL6581972 0.80 PTPN1 (0.46) PTPN1KDM4EMAPTESR1TP53
SCHEMBL6582980 0.79 PTPN1 (0.66) PTPN1KDM4EALDH1A1GAARXFP1
SCHEMBL6580469 0.78 PTPN1 (0.37) PTPN1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6579721 0.78 PTPN1 (0.48) PTPN1KDM4EMAPTALDH1A1GAA
SCHEMBL6581543 0.75 PTPN1 (0.47) PTPN1KDM4EALDH1A1GAARXFP1

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 PTPN1 1287/4885KDM4E 4021/4885MAPT 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.