SCHEMBL5428115

SCHEMBL5428115

COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.56
PPARG P37231 7/20 0.56
SMPD1 P17405 2/20 0.47
P2RX4 Q99571 1/20 0.45
OPRK1 P41145 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PPARD Q03181 1/20 0.42
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5423669 0.89 PPARA (0.54) PPARAPPARGSMPD1KDM4EALDH1A1
SCHEMBL5428793 0.84 PPARA (0.52) PPARAPPARGOPRK1KDM4EALDH1A1
SCHEMBL5431848 0.83 PPARA (0.58) PPARAPPARGP2RX4PPARD
SCHEMBL5440280 0.83 PPARA (0.57) PPARAPPARGSMPD1P2RX4PPARD
SCHEMBL6073010 0.82 OPRK1 (0.51) PPARAPPARGSMPD1OPRK1ALDH1A1
SCHEMBL5434312 0.81 PPARA (0.56) PPARAPPARGSMPD1ALDH1A1CYP2C9
SCHEMBL5441860 0.80 PPARA (0.56) PPARAPPARGSMPD1LMNAPPARD
SCHEMBL5430182 0.79 PPARA (0.54) PPARAPPARGKDM4EALDH1A1LMNA
SCHEMBL5437303 0.78 PPARA (0.54) PPARAPPARGKDM4EALDH1A1
SCHEMBL5434311 0.78 PPARA (0.52) PPARAPPARGALDH1A1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 615/4885SMPD1 387/4885

“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.