SCHEMBL2004739

SCHEMBL2004739

CCCOc1csc(-c2ccc(OCCCOc3ccc4[nH]cc(CC(=O)O)c4c3)c(OC)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.54
PPARA Q07869 16/20 0.54
KDM4E B2RXH2 2/20 0.48
PPARG P37231 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL2000193 0.87 PPARD (0.52) PPARDPPARAKDM4EALDH1A1GAA
SCHEMBL2000709 0.84 PPARD (0.57) PPARDPPARAKDM4EPPARG
SCHEMBL1999069 0.82 PPARD (0.58) PPARDPPARAKDM4EPPARG
SCHEMBL1998423 0.81 PPARD (0.60) PPARDPPARAKDM4EPPARGALDH1A1
SCHEMBL2004770 0.80 PPARD (0.58) PPARDPPARAKDM4EPPARGALDH1A1
SCHEMBL1995078 0.79 PPARD (0.62) PPARDPPARAKDM4EPPARG
SCHEMBL15747702 0.77 KDM4E (0.71) PPARDPPARAKDM4EPPARGALDH1A1
SCHEMBL1998618 0.76 PPARD (0.56) PPARDPPARAKDM4EALDH1A1GAA
SCHEMBL2001615 0.76 PPARD (0.61) PPARDPPARAKDM4EALDH1A1GAA
SCHEMBL1383393 0.76 PPARD (0.60) PPARDPPARAKDM4EPPARGHTR1A

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
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885KDM4E 1373/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885KDM4E 1373/4885

“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.