SCHEMBL1449039

SCHEMBL1449039

O=C(O)/C=C/c1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
PPARG P37231 2/20 0.59
PPARA Q07869 2/20 0.59
GSK3B P49841 2/20 0.58
BACE1 P56817 2/20 0.58
AKR1C3 P42330 1/20 0.58
AKR1B10 O60218 2/20 0.57
AKR1B1 P15121 2/20 0.57
MAOB P27338 2/20 0.56
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
HCAR2 Q8TDS4 2/20 0.53
HDAC3 O15379 1/20 0.53
TNKS O95271 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL1449041 1.00 FFAR1 (0.59) FFAR1PPARGPPARAGSK3BBACE1
SCHEMBL451122 0.91 S1PR1 (0.61) FFAR1PPARGPPARAGSK3BBACE1
SCHEMBL451121 0.91 S1PR1 (0.61) FFAR1PPARGPPARAGSK3BBACE1
SCHEMBL4509890 0.86 PPARA (0.65) FFAR1PPARAGSK3BBACE1HCAR2
SCHEMBL4509884 0.86 PPARA (0.65) FFAR1PPARAGSK3BBACE1HCAR2
SCHEMBL11686354 0.85 THRB (0.65) FFAR1PPARAGSK3BBACE1AKR1B10
SCHEMBL20024693 0.85 NPC1 (0.65) FFAR1PPARGPPARANPC1RAB9A
SCHEMBL527827 0.84 GSK3B (0.80) GSK3BBACE1MAOBNPC1RAB9A
SCHEMBL8740053 0.84 GSK3B (0.80) GSK3BBACE1MAOBNPC1RAB9A
SCHEMBL527828 0.84 GSK3B (0.80) GSK3BBACE1MAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
EP-1585745-A4 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS TRILLIUM THERAPEUTICS INC (CA) 2008-07-09 EP disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
US-20060264484-A1 Fc receptor modulating compounds and compositions THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2006-11-23 US disclosed
EP-1585745-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS Arthron Limited (AU) 2005-10-19 EP disclosed
WO-2004058747-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS ARTHRON LIMITED (AU) 2004-07-15 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 (3 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-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS FCGR1A, FCGR2A, FCGR3B FFAR1 70/4885PPARG 133/4885PPARA 202/4885
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions FCGR1A, FCGR2A, FCGR3B FFAR1 70/4885PPARG 133/4885PPARA 202/4885
US-20060264484-A1 Fc receptor modulating compounds and compositions FCGR1A, FCGR2A, FCGR3B FFAR1 61/4885PPARG 212/4885PPARA 299/4885

“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.