SCHEMBL2002583

SCHEMBL2002583

CCc1coc(-c2ccc(OCCCOc3ccc4[nH]c(C(C)C(=O)O)c(C)c4c3)c(OC)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.40
PPARD Q03181 13/20 0.40
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
TLR9 Q9NR96 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 2/20 0.37

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
SCHEMBL2006292 0.91 PPARA (0.41) PPARAPPARDKDM4EKMT2AHSD17B10
SCHEMBL1999249 0.86 PPARA (0.44) PPARAPPARDTLR8TLR7KDM4E
SCHEMBL2005321 0.85 KDM4E (0.41) PPARAPPARDTLR8TLR7TLR9
SCHEMBL2006523 0.85 PPARD (0.56) PPARAPPARDTLR8TLR7KDM4E
SCHEMBL2005319 0.85 PPARA (0.40) PPARAPPARDTLR8TLR7TLR9
SCHEMBL2000521 0.82 PPARA (0.41) PPARAPPARDTLR8TLR7TLR9
SCHEMBL4237363 0.81 PPARD (0.55) PPARAPPARD
SCHEMBL2003148 0.80 PPARD (0.57) PPARAPPARDKDM4EMEN1KMT2A
SCHEMBL2000618 0.79 PPARD (0.58) PPARAPPARD
SCHEMBL12568532 0.79 PPARA (0.39) PPARAPPARDKDM4EMEN1KMT2A

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 PPARA 243/4885PPARD 452/4885TLR8 3362/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARD 452/4885TLR8 3362/4885

“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.