SCHEMBL6582377

SCHEMBL6582377

CC(CC=O)Cc1c(-c2ccc3cc(O)ccc3c2)oc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.41
CYP3A4 P08684 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HSD17B10 Q99714 5/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
MAPK1 P28482 3/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FTO Q9C0B1 1/20 0.40
TP53 P04637 5/20 0.38
ALOX12 P18054 3/20 0.38
ST6GAL1 P15907 1/20 0.38

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
SCHEMBL6582140 0.74 PTPN1 (0.57) PTPN1CYP3A4MEN1KMT2AHSD17B10
SCHEMBL6582381 0.73 L3MBTL1 (0.43) CYP3A4MEN1KMT2AHSD17B10MAPT
SCHEMBL6582700 0.70 PTPN1 (0.42) PTPN1CYP3A4MEN1KMT2AHSD17B10
SCHEMBL6582211 0.69 ALDH1A1 (0.46) CYP3A4MEN1KMT2AHSD17B10MAPT
SCHEMBL6583139 0.68 L3MBTL1 (0.56) PTPN1MEN1KMT2AHSD17B10KDM4E
SCHEMBL6581446 0.67 LMNA (0.53) PTPN1MEN1KMT2AHSD17B10KDM4E
SCHEMBL6579993 0.66 MEN1 (0.54) CYP3A4MEN1KMT2AHSD17B10MAPT
SCHEMBL6583678 0.65 ALOX5 (0.41) CYP3A4MEN1KMT2AHSD17B10MAPT
SCHEMBL9080216 0.65 CYP3A4 (0.72) CYP3A4MEN1KMT2AHSD17B10MAPT
SCHEMBL6581606 0.64 PTPN1 (0.48) PTPN1CYP3A4MEN1KMT2AHSD17B10

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 1287/4885CYP3A4 1207/4885MEN1 4849/4885

“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.