SCHEMBL5434327

SCHEMBL5434327

COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCn3c(C)ccc3-c3ccc4c(c3)OCO4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
PPARG P37231 7/20 0.49
DRD3 P35462 2/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD2 P14416 1/20 0.41
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
EDNRB P24530 3/20 0.40
EDNRA P25101 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL5429679 0.93 PPARG (0.50) PPARAPPARGCYP2C9KCNH2EDNRA
SCHEMBL5433464 0.86 DRD3 (0.45) DRD3PGRADORA3CHRM1TBXA2R
SCHEMBL5454625 0.84 PGR (0.59) PPARAPPARGDRD3PGRADORA3
SCHEMBL13721788 0.79 PPARA (0.76) PPARAPPARGCYP2C9KCNH2
SCHEMBL5431707 0.79 PPARA (0.50) PPARAPPARGDRD3PGRADORA3
SCHEMBL5463648 0.78 PPARG (0.52) PPARAPPARGDRD3PGRADORA3
SCHEMBL5423624 0.77 PPARA (0.49) PPARAPPARGDRD3PGRADORA3
SCHEMBL1336474 0.75 PGR (0.69) PPARAPPARGDRD3PGRADORA3
SCHEMBL6076049 0.73 PGR (0.59) PPARAPPARGDRD3PGRADORA3
SCHEMBL4025576 0.73 KCNH2 (0.41) PPARGDRD3PGRADORA3CHRM1

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 4 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-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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 615/4885DRD3 2234/4885

“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.