SCHEMBL1998423

SCHEMBL1998423

CCOc1nc(-c2ccc(OCCCOc3ccc4[nH]cc(CC(=O)O)c4c3)c(OC)c2)sc1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.60
PPARA Q07869 15/20 0.60
KDM4E B2RXH2 3/20 0.48
PPARG P37231 1/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41
ICMT O60725 1/20 0.40

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
SCHEMBL1999069 0.90 PPARD (0.58) PPARDPPARAKDM4EPPARGEGFR
SCHEMBL1385979 0.90 PPARD (0.62) PPARDPPARAKDM4EPPARGICMT
SCHEMBL2000620 0.88 PPARD (0.57) PPARDPPARAKDM4EMEN1KMT2A
SCHEMBL1998422 0.84 PPARD (0.62) PPARDPPARAKDM4EMEN1KMT2A
SCHEMBL1995078 0.82 PPARD (0.62) PPARDPPARAKDM4EPPARG
SCHEMBL2000709 0.82 PPARD (0.57) PPARDPPARAKDM4EPPARGICMT
SCHEMBL2003148 0.81 PPARD (0.57) PPARDPPARAKDM4EMEN1KMT2A
SCHEMBL2004739 0.81 PPARD (0.54) PPARDPPARAKDM4EPPARGALDH1A1
SCHEMBL2000807 0.81 PPARD (0.58) PPARDPPARAKDM4EPPARGALDH1A1
SCHEMBL2000619 0.79 PPARD (0.58) PPARDPPARAKDM4EMEN1KMT2A

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.