SCHEMBL6584870

SCHEMBL6584870

O=C(c1ccccc1)c1c(-c2ccc3c(Br)c(O)ccc3c2)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
CYP2C19 P33261 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ST6GAL1 P15907 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6581737 0.89 L3MBTL1 (0.48) L3MBTL1CYP2C19MAPTKMT2APTPN1
SCHEMBL6585300 0.83 ESR1 (0.54) HSD17B1HSD17B2ESR1ESR2CYP2C19
SCHEMBL6581329 0.83 PTPN1 (0.43) L3MBTL1HSD17B1HSD17B2ESR1ESR2
SCHEMBL6583139 0.82 L3MBTL1 (0.56) L3MBTL1ESR1ESR2CYP2C19KDM4E
SCHEMBL6580387 0.81 PTPN1 (0.51) HSD17B1HSD17B2ESR1ESR2CYP2C19
SCHEMBL6579770 0.80 L3MBTL1 (0.43) L3MBTL1CYP3A4MAPTALOX15PTPN1
SCHEMBL6582256 0.79 TP53 (0.49) L3MBTL1HSD17B1HSD17B2ESR1ESR2
SCHEMBL6586815 0.77 L3MBTL1 (0.73) L3MBTL1CYP2C19KDM4ECYP3A4MAPT
SCHEMBL11734608 0.76 L3MBTL1 (0.64) L3MBTL1CYP2C19KDM4EMEN1CYP3A4
SCHEMBL7068281 0.76 L3MBTL1 (0.67) L3MBTL1CYP2C19KDM4EMEN1TP53

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 L3MBTL1 2248/4885HSD17B1 668/4885HSD17B2 1128/4885

“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.