SCHEMBL1870599

SCHEMBL1870599

CCOC(=O)C(Cc1ccc(NCCCN2CC(C)Oc3ccccc32)cc1)OC.COC(Cc1ccc(NCCCN2CC(C)Oc3ccccc32)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.39
PPARA Q07869 6/20 0.39
MAPT P10636 3/20 0.36
PPARD Q03181 3/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
PTPRF P10586 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
SIRT1 Q96EB6 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL1863184 0.97 MAPT (0.38) PPARGPPARAMAPTGAAALDH1A1
SCHEMBL14194982 0.97 MAPT (0.38) PPARGPPARAMAPTGAAALDH1A1
SCHEMBL1870590 0.94 PPARG (0.39) PPARGPPARAMAPTPPARDGAA
SCHEMBL4825231 0.94 PPARG (0.39) PPARGPPARAMAPTPPARDGAA
SCHEMBL4825018 0.93 PPARG (0.39) PPARGPPARAMAPTPPARDGAA
SCHEMBL1860645 0.92 PPARG (0.46) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL1855249 0.91 MAPT (0.35) PPARGPPARAMAPTPPARDLMNA
SCHEMBL1865976 0.90 PPARG (0.41) PPARGPPARAMAPTGAAALDH1A1
SCHEMBL1865594 0.90 PPARG (0.38) PPARGPPARAMAPTPPARDTP53
SCHEMBL4822987 0.89 PPARG (0.49) PPARGPPARAPPARDPTPRFPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds REDDY'S LABORATORIES INC. 2011-05-05 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 (1 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-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds PCCA, ADRA1B, ADRA2B PPARG 994/4885PPARA 822/4885MAPT 1308/4885

“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.