SCHEMBL6583608

SCHEMBL6583608

CC(C)CC(=O)c1c(-c2ccc3cc(O)cc(Br)c3c2)oc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EYA3 Q99504 3/20 0.42
ANO1 Q5XXA6 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TTR P02766 2/20 0.38
EYA2 O00167 1/20 0.38
ABCC4 O15439 1/20 0.38
PLIN1 O60240 1/20 0.38
NR1I2 O75469 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6582381 0.86 L3MBTL1 (0.43) ANO1CYP2C19CYP1A2CYP2C9NPC1
SCHEMBL6581496 0.84 KDM4E (0.44) ANO1NPC1ALDH1A1LMNATHRB
SCHEMBL6582674 0.81 KDM4E (0.47) ANO1CYP2C19CYP1A2CYP2C9NPC1
SCHEMBL6580058 0.78 L3MBTL1 (0.55) CYP2C19CYP2C9NPC1SMN1; SMN2MEN1
SCHEMBL6579423 0.75 PTPN1 (0.40) ANO1CYP2C19CYP1A2CYP2C9NPC1
SCHEMBL6583738 0.73 PTPN1 (0.39) ANO1CYP2C19CYP1A2CYP2C9NPC1
SCHEMBL6582211 0.72 ALDH1A1 (0.46) EYA3ANO1CYP2C19CYP2C9NPC1
SCHEMBL6581446 0.70 LMNA (0.53) EYA3NPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL6581329 0.70 PTPN1 (0.43) EYA3ANO1CYP2C19CYP1A2CYP2C9
SCHEMBL6580387 0.69 PTPN1 (0.51) EYA3CYP2C19CYP1A2CYP2C9NPC1

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 EYA3 4190/4885ANO1 3199/4885CYP2C19 1496/4885

“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.