SCHEMBL6583890

SCHEMBL6583890

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.47
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
APP P05067 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
SCHEMBL6585755 0.90 PTPN1 (0.48) PTPN1LMNAHTTKDM4EALDH1A1
SCHEMBL6579740 0.90 PTPN1 (0.46) PTPN1LMNAHTTKDM4EALDH1A1
SCHEMBL6580117 0.90 PTPN1 (0.46) PTPN1LMNAHTTKDM4EALDH1A1
SCHEMBL6581487 0.90 PTPN1 (0.58) PTPN1LMNAHTTKDM4EALDH1A1
SCHEMBL6579600 0.88 LMNA (0.42) PTPN1LMNAHTTKDM4EALDH1A1
SCHEMBL6579471 0.86 LMNA (0.53) PTPN1LMNAHTTKDM4EALDH1A1
SCHEMBL6580396 0.85 PTPN1 (0.45) PTPN1LMNAHTTKDM4EALDH1A1
SCHEMBL6582342 0.84 KDM4E (0.43) PTPN1LMNAHTTKDM4EALDH1A1
SCHEMBL6582637 0.83 PTPN1 (0.57) PTPN1LMNAHTT
SCHEMBL6582762 0.83 LMNA (0.38) PTPN1LMNAHTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US claimed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US claimed
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 1287/4885LMNA 903/4885HTT 549/4885

“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.