SCHEMBL6581972

SCHEMBL6581972

Oc1ccc2cc(-c3oc4ccccc4c3CCC3CCCC3)ccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.46
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
POLB P06746 1/20 0.36
TP53 P04637 4/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX12 P18054 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6582700 0.84 PTPN1 (0.42) PTPN1HSD17B1HSD17B2ESR1ESR2
SCHEMBL6580067 0.83 PTPN1 (0.53) PTPN1LMNATSHRL3MBTL1KMT2A
SCHEMBL6582969 0.82 PTPN1 (0.39) PTPN1TP53HTTTSHRSMN1; SMN2
SCHEMBL6579567 0.81 PTPN1 (0.61) PTPN1HSD17B1HSD17B2ESR1ESR2
SCHEMBL6582256 0.80 TP53 (0.49) PTPN1HSD17B1HSD17B2ESR1ESR2
SCHEMBL6583282 0.80 PTPN1 (0.46) PTPN1ESR1TP53MAPK1LMNA
SCHEMBL6581338 0.78 MTNR1A (0.41) TP53MAPK1LMNATSHRSMN1; SMN2
SCHEMBL6581606 0.78 PTPN1 (0.48) PTPN1HSD17B1HSD17B2ESR1ESR2
SCHEMBL6581607 0.78 PTPN1 (0.51) PTPN1HSD17B1HSD17B2ESR1ESR2
SCHEMBL6585300 0.78 ESR1 (0.54) PTPN1HSD17B1HSD17B2ESR1ESR2

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 1287/4885HSD17B1 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.