SCHEMBL6583740

SCHEMBL6583740

CCCCCc1c(-c2ccc3cc(OCC(=O)OCC)ccc3c2)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 6/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
PTPN1 P18031 3/20 0.46
HSD17B10 Q99714 3/20 0.45
TP53 P04637 2/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL6580283 0.90 PTPN1 (0.57) KDM4EALDH1A1GAAPPARAPPARG
SCHEMBL6583913 0.86 PTPN1 (0.55) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6582307 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6585145 0.82 CNR1 (0.47) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6581416 0.81 PSEN1 (0.44) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6581952 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6582140 0.79 PTPN1 (0.57) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6580094 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL6579684 0.76 PTPN1 (0.38) KDM4EPTPN1
SCHEMBL6582980 0.76 PTPN1 (0.66) KDM4EALDH1A1GAAPTPN1

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.