SCHEMBL6579774

SCHEMBL6579774

COc1ccc2cc(-c3cc4ccccc4o3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.60
CYP2A6 P11509 2/20 0.55
CYP1A2 P05177 1/20 0.55
KMT2A Q03164 1/20 0.54
ALOX5 P09917 1/20 0.54
MAOB P27338 4/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TNKS O95271 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL3685028 0.89 MAOB (0.63) APPKMT2AALOX5MAOBABCG2
SCHEMBL11725678 0.86 MAOB (0.61) APPCYP1A2KMT2AALOX5MAOB
SCHEMBL30485740 0.86 MAOB (0.61) APPCYP1A2KMT2AALOX5MAOB
SCHEMBL6583412 0.85 ALOX5 (0.66) CYP1A2KMT2AALOX5MAOBKDM4E
(Z)-1,2-Diphenylethene SCHEMBL28205866 0.82 APP (0.55) APPKMT2AMAOBABCG2ATG4B
SCHEMBL6822627 0.82 NPC1 (0.66) APPKMT2AABCG2KDM4EALDH1A1
SCHEMBL28792949 0.82 CASP3 (0.63) APPKMT2AALOX5MAOBATG4B
SCHEMBL29742911 0.82 CASP3 (0.63) APPKMT2AALOX5MAOBATG4B
SCHEMBL29873464 0.82 APP (0.64) APPKMT2AMAOBABCG2KDM4E
SCHEMBL6748778 0.82 APP (0.64) APPKMT2AMAOBABCG2KDM4E

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 APP 3778/4885CYP2A6 1231/4885CYP1A2 1023/4885

“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.