SCHEMBL5440285

SCHEMBL5440285

CCC(C(=O)O)N(Cc1ccccc1)Cc1cccc(OCCN2c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.53
PPARG P37231 9/20 0.53
ALDH1A1 P00352 3/20 0.41
EPOR P19235 1/20 0.40
PPARD Q03181 9/20 0.40
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES O14684 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
SCHEMBL5434600 0.91 PPARG (0.63) PPARAPPARGEPORPPARDKMT2A
SCHEMBL5457078 0.83 TSHR (0.41) PPARAPPARGALDH1A1EPORPPARD
SCHEMBL5428460 0.82 SIGMAR1 (0.46) PPARGALDH1A1EPORKMT2AKDM4E
SCHEMBL5434637 0.81 PPARG (0.52) PPARAPPARG
SCHEMBL5443771 0.80 PPARG (0.51) PPARAPPARGALDH1A1EPORPPARD
SCHEMBL5427767 0.79 MAPK1 (0.44) PPARAPPARGALDH1A1EPORPPARD
SCHEMBL5447295 0.78 POLB (0.43) PPARGALDH1A1EPORKMT2AKDM4E
SCHEMBL5440280 0.76 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL5451284 0.76 FFAR1 (0.49) PPARAPPARGEPORPPARDKMT2A
SCHEMBL5424674 0.74 PGR (0.55) PPARAPPARGALDH1A1EPORPPARD

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 615/4885ALDH1A1 1358/4885

“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.