SCHEMBL1998655

SCHEMBL1998655

CCc1coc(-c2ccc(OCCCOc3ccc4[nH]c(C(C)C(=O)O)cc4c3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.43
PPARG P37231 9/20 0.43
FFAR1 O14842 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
P2RY12 Q9H244 5/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PDE2A O00408 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL2005319 0.90 PPARA (0.40) PPARAPPARG
SCHEMBL2006292 0.83 PPARA (0.41) PPARAPPARGFFAR1HRH3PDE3B
SCHEMBL1998658 0.82 PPARG (0.42) PPARAPPARGFFAR1HRH3AKR1C3
SCHEMBL12568499 0.76 PPARG (0.43) PPARAPPARGFFAR1HRH3
SCHEMBL2002314 0.76 PPARD (0.56) PPARA
SCHEMBL1999279 0.76 PPARD (0.56) PPARA
SCHEMBL2000353 0.76 PPARD (0.56) PPARA
SCHEMBL1998615 0.75 PPARD (0.57) PPARA
SCHEMBL2002583 0.75 PPARA (0.40) PPARAPPARG
SCHEMBL2005321 0.74 KDM4E (0.41) PPARAPPARGDHODH

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 243/4885PPARG 347/4885FFAR1 47/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARA 243/4885PPARG 347/4885FFAR1 47/4885

“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.