SCHEMBL5414218

SCHEMBL5414218

COC(=O)C(=Cc1ccc(OCCOc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.58
CYP3A4 P08684 5/20 0.47
CYP26A1 O43174 4/20 0.44
RARA P10276 3/20 0.44
RARB P10826 3/20 0.44
RARG P13631 3/20 0.44
RXRA P19793 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL6821688 0.88 PPARG (0.61) PPARGCYP3A4CYP26A1RARARARB
SCHEMBL5402460 0.80 PPARG (0.59) PPARGRXRAKDM4ENPC1ALDH1A1
SCHEMBL5403530 0.79 PPARG (0.59) PPARGCYP3A4CYP26A1RARARARB
SCHEMBL5414725 0.78 PPARA (0.55) PPARGKDM4EALDH1A1RAB9A
SCHEMBL430650 0.76 NR1H4 (0.50) KDM4ETP53CYP1A2CYP2D6SMN1; SMN2
SCHEMBL6380238 0.76 NR1H4 (0.47)
SCHEMBL20162273 0.76 MEN1 (0.51) LMNACYP1A2CYP2C19NPSR1
SCHEMBL6484837 0.75 NR1H4 (0.46) LMNACYP1A2CYP2C19NPSR1
SCHEMBL9061094 0.75 NR1H4 (0.46) KDM4ELMNATP53CYP1A2CYP2C19
SCHEMBL12869940 0.74 NR1H4 (0.50) LMNACYP1A2CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142427-A1 Noncyclic 1,3-Dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2007-06-21 US disclosed
US-20070142427-A1 Noncyclic 1,3-Dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2007-06-21 US disclosed
US-20070142427-A1 Noncyclic 1,3-Dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2007-06-21 US disclosed
US-7192970-B2 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity CHIPSCREEN BIOSCIENCES, LTD. (CN) 2007-03-20 US disclosed
US-7192970-B2 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity CHIPSCREEN BIOSCIENCES, LTD. (CN) 2007-03-20 US disclosed
US-7192970-B2 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity CHIPSCREEN BIOSCIENCES, LTD. (CN) 2007-03-20 US disclosed
US-20040138211-A1 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2004-07-15 US disclosed
WO-2004048338-A1 NONCYCLIC 1,3-DICARBONYL COMPOUNDS AS DUAL PPAR AGONISTS WITH POTENT ANTIHYPERGLYCEMIC AND ANTIHYPERLIPIDEMIC ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (US) 2004-06-10 WO 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-20070142427-A1 Noncyclic 1,3-Dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity GPR119, PPARG, PPARA PPARG 2/4885CYP3A4 762/4885CYP26A1 1383/4885
US-20040138211-A1 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity PPARG, GPR119, PPARA PPARG 1/4885CYP3A4 924/4885CYP26A1 1380/4885

“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.