SCHEMBL6583678

SCHEMBL6583678

O=CCCCCc1c(-c2ccc3cc(O)ccc3c2)oc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
ANO1 Q5XXA6 3/20 0.39
NQO1 P15559 1/20 0.36
MAPT P10636 2/20 0.35
MKNK2 Q9HBH9 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 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
SCHEMBL6581606 0.71 PTPN1 (0.48) ANO1MAPTTP53ESR1ESR2
SCHEMBL6582140 0.71 PTPN1 (0.57) MAPTESR1ESR2MEN1KMT2A
SCHEMBL6581560 0.71 ALOX5 (0.53) ALOX5ANO1MEN1KMT2AKDM4E
SCHEMBL8635685 0.66 MEN1 (0.49) ALOX5MAPTTP53CSNK2A2CSNK2B
SCHEMBL8638111 0.66 MEN1 (0.51) ALOX5MAPTTP53MEN1KMT2A
SCHEMBL6582377 0.65 PTPN1 (0.41) ANO1MAPTTP53MEN1KMT2A
SCHEMBL8635613 0.63 MEN1 (0.54) ALOX5MAPTTP53MEN1KMT2A
SCHEMBL6582700 0.62 PTPN1 (0.42) ANO1MAPTTP53MIFESR1
SCHEMBL24343643 0.62 AHR (0.62) NQO1MAPTGABRPGABRDGABRA1
SCHEMBL31314413 0.62 AHR (0.62) NQO1MAPTGABRPGABRDGABRA1

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 ALOX5 238/4885ANO1 3199/4885NQO1 2696/4885

“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.