SCHEMBL3214637

SCHEMBL3214637

Fc1ccc(CCOc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
AHR P35869 2/20 0.53
HDAC1 Q13547 1/20 0.49
MAOB P27338 3/20 0.48
APP P05067 1/20 0.46
CNR2 P34972 1/20 0.45
MAOA P21397 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 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
SCHEMBL29275224 0.90 AHR (0.54) LTA4HAHRMAOBCNR2MAOA
SCHEMBL25422318 0.87 AHR (0.54) LTA4HAHRMAOBAPPMAOA
SCHEMBL30488431 0.87 AHR (0.54) LTA4HAHRMAOBAPPMAOA
SCHEMBL8746152 0.87 LTA4H (0.55) LTA4HHDAC1MAOBAPPMAOA
SCHEMBL30375479 0.86 LTA4H (0.49) LTA4HHDAC1MAOBAPPKCNH2
SCHEMBL31757556 0.80 CHRNB4 (0.47) LTA4HHDAC1MAOBAPPCNR2
SCHEMBL31757572 0.79 CHRNA7 (0.48) LTA4HHDAC1APPKCNH2CHRNB4
SCHEMBL30375972 0.79 KCNH2 (0.48) LTA4HAHRHDAC1MAOBAPP
SCHEMBL30375754 0.78 CHRNB4 (0.48) LTA4HHDAC1MAOBAPPMAOA
SCHEMBL30375430 0.78 LTA4H (0.51) LTA4HAHRHDAC1MAOBAPP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674818-B2 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH LLC (US) 2010-03-09 US disclosed
EP-1569901-B1 ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED i 1H /i -INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2008-10-15 EP disclosed
US-20070259922-A1 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2007-11-08 US disclosed
US-7259182-B2 Deep vein thrombosis, noninsulin dependent diabetes, atherosclerosis, and pulmonary fibrosis treatment; cardiovascular and brain disorders WYETH (US) 2007-08-21 US disclosed
US-20040138283-A1 Aryl, aryloxy, and alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2004-07-15 US 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 (2 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-20040138283-A1 Aryl, aryloxy, and alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, PLAT, SERPINC1 LTA4H 475/4885AHR 29/4885HDAC1 927/4885
US-20070259922-A1 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, SERPINC1, PLAT LTA4H 438/4885AHR 37/4885HDAC1 809/4885

“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.