SCHEMBL5457078

SCHEMBL5457078

CCC(C(=O)O)N(Cc1ccccc1)Cc1cccc(OCCN2CCOc3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PPARA Q07869 6/20 0.40
PPARG P37231 5/20 0.40
PPARD Q03181 5/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPOR P19235 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAAA Q02083 1/20 0.37
GRM5 P41594 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5447295 0.83 POLB (0.43) TSHRPPARGKDM4EALDH1A1GAA
SCHEMBL5431705 0.83 PPARG (0.48) TSHRPPARAPPARGCYSLTR2CYSLTR1
SCHEMBL5440285 0.83 PPARA (0.53) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5427774 0.78 PPARA (0.42) TSHRPPARAPPARGL3MBTL1
SCHEMBL27558296 0.76 MAOA (0.43) TSHRCYSLTR2CYSLTR1GRM5KMT2A
SCHEMBL5443771 0.76 PPARG (0.51) PPARAPPARGPPARDALDH1A1EPOR
SCHEMBL6527084 0.76 MAPT (0.42) TSHRKDM4EALDH1A1SMN1; SMN2EPOR
SCHEMBL5430363 0.75 PPARG (0.48) TSHRPPARGALDH1A1GAAKMT2A
SCHEMBL5428460 0.75 SIGMAR1 (0.46) TSHRPPARGKDM4EALDH1A1SMN1; SMN2
SCHEMBL5441821 0.74 MAPT (0.52) PPARAPPARGKDM4EALDH1A1SMN1; SMN2

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 TSHR 2961/4885PPARA 990/4885PPARG 615/4885

“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.