SCHEMBL6585300

SCHEMBL6585300

Oc1ccc2cc(-c3oc4ccccc4c3Br)ccc2c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54
HSD17B1 P14061 2/20 0.54
HSD17B2 P37059 2/20 0.54
POLB P06746 1/20 0.50
PTPN1 P18031 2/20 0.47
CYP3A4 P08684 7/20 0.47
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
HSD17B10 Q99714 5/20 0.47
MAPT P10636 5/20 0.47
ALOX15 P16050 4/20 0.47
MAPK1 P28482 4/20 0.47
TP53 P04637 4/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
ST6GAL1 P15907 2/20 0.47
ALOX12 P18054 2/20 0.47

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
SCHEMBL6584870 0.83 L3MBTL1 (0.48) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL25824780 0.82 ANO1 (0.43) ESR1ESR2CYP3A4KDM4EMEN1
SCHEMBL6579567 0.80 PTPN1 (0.61) ESR1ESR2HSD17B1HSD17B2PTPN1
SCHEMBL6581329 0.79 PTPN1 (0.43) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL6581607 0.78 PTPN1 (0.51) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL6580387 0.78 PTPN1 (0.51) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL6581972 0.78 PTPN1 (0.46) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL6581606 0.78 PTPN1 (0.48) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL3331853 0.78 ALOX5 (0.64) ESR1ESR2HSD17B1HSD17B2POLB
SCHEMBL6582256 0.76 TP53 (0.49) ESR1ESR2HSD17B1HSD17B2POLB

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 ESR1 3522/4885ESR2 1926/4885HSD17B1 668/4885

“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.