SCHEMBL5414725

SCHEMBL5414725

COC(=O)C(=Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.55
PPARG P37231 3/20 0.55
PPARD Q03181 3/20 0.55
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
HDAC1 Q13547 1/20 0.47
RAB9A P51151 1/20 0.46
PTPN7 P35236 1/20 0.46

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
SCHEMBL5410788 0.86 CYP3A4 (0.51) PPARAPPARGPPARDALDH1A1RAB9A
SCHEMBL14499746 0.86 P2RY14 (0.48) PPARAPPARGPPARDALDH1A1NR1H4
SCHEMBL22231419 0.83 PTGS2 (0.49)
SCHEMBL430650 0.80 NR1H4 (0.50) KDM4ENR1H4
SCHEMBL6380238 0.80 NR1H4 (0.47) NR1H4HDAC1
SCHEMBL20162273 0.80 MEN1 (0.51) MAPK1NR1H4
SCHEMBL9041806 0.80 PPARG (0.59) PPARAPPARGPPARDKDM4EMAPK1
SCHEMBL6484837 0.79 NR1H4 (0.46) MAPK1NR1H4
SCHEMBL6536071 0.79 MTNR1A (0.46) NR1H4HDAC1
SCHEMBL5402460 0.79 PPARG (0.59) PPARAPPARGPPARDKDM4EALDH1A1

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 PPARA 3/4885PPARG 2/4885PPARD 4/4885
US-20040138211-A1 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity PPARG, GPR119, PPARA PPARA 3/4885PPARG 1/4885PPARD 5/4885

“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.