SCHEMBL1865594

SCHEMBL1865594

CCCC1CN(CCCNc2ccc(CC(OC)C(=O)O)cc2)c2ccccc2O1.CCCC1CN(CCCNc2ccc(C[C@H](OC)C(=O)OCC)cc2)c2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.38
PPARA Q07869 7/20 0.38
PTPRF P10586 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PPARD Q03181 3/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
HTR1A P08908 1/20 0.33
SIRT1 Q96EB6 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL1865603 0.97 MAPT (0.35) PPARGPPARAMAPTTP53HTR1A
SCHEMBL1860809 0.95 PPARG (0.39) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4823674 0.95 PPARG (0.39) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4823838 0.94 PPARG (0.38) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4823822 0.94 PPARG (0.38) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL1865902 0.92 PPARG (0.44) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL1862112 0.91 PPARG (0.40) PPARGPPARAMAPTTP53HTR1A
SCHEMBL1870599 0.90 PPARG (0.39) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4823643 0.90 PPARG (0.47) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL1863850 0.90 PPARG (0.47) PPARGPPARAPTPRFPTPN2PTPN1

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 822/4885PTPRF 2996/4885

“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.