SCHEMBL5434813

SCHEMBL5434813

CCC(C(=O)O)N(Cc1ccccc1)Cc1ccc(OCCn2c(C)ccc2-c2ccc(C)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
DRD3 P35462 1/20 0.42
PPARG P37231 6/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
EPOR P19235 4/20 0.35
ALDH1A1 P00352 1/20 0.35
LTA4H P09960 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34

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
SCHEMBL6502575 0.88 PTGS1 (0.39) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL5434326 0.84 PGR (0.51) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL5438473 0.84 PPARG (0.48) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL5438448 0.83 PGR (0.43) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL5428468 0.82 PGR (0.65) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL1338276 0.78 PGR (0.67) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL5432364 0.77 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL6076665 0.75 PGR (0.45) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL5431707 0.75 PPARA (0.50) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL5424674 0.75 PGR (0.55) PGRADORA3CHRM1TBXA2RPTGS1

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 PGR 4095/4885ADORA3 4122/4885CHRM1 1519/4885

“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.