SCHEMBL5423717

SCHEMBL5423717

CCc1ccc(CCOc2ccc(CN(CC(=O)O)C(=O)Oc3ccc(OC)cc3)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.58
PPARG P37231 11/20 0.58
CYP3A4 P08684 1/20 0.46
RXRA P19793 1/20 0.46
MCHR1 Q99705 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
SLC2A1 P11166 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL6073141 0.94 PPARA (0.56) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073345 0.93 PPARA (0.57) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6072992 0.93 PPARA (0.51) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073127 0.91 PPARA (0.52) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073204 0.90 PPARA (0.52) PPARAPPARGCYP3A4RXRAPOLB
SCHEMBL6073133 0.89 PPARG (0.49) PPARAPPARGCYP3A4RXRAMCHR1
SCHEMBL6073143 0.89 PPARA (0.47) PPARAPPARGPOLBCYP2C9KCNH2
SCHEMBL6073312 0.87 PPARA (0.49) PPARAPPARGCYP3A4RXRACYP2C9
SCHEMBL6073111 0.85 PPARA (0.52) PPARAPPARGCYP2C9KCNH2SLC2A1
SCHEMBL6073100 0.85 PPARA (0.46) PPARAPPARGCYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 US disclosed
WO-2006117743-A1 SUBSTITUTED AROMATIC COMPOUNDS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 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 (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-20070275956-A1 Novel Heterocyclic Compounds CYP46A1, DHCR7, NPC1L1 PPARA 990/4885PPARG 615/4885CYP3A4 95/4885

“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.