SCHEMBL543205

SCHEMBL543205

COC(Cc1ccc(OCCn2c(C)ccc2C)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.62
PPARA Q07869 17/20 0.62
PPARD Q03181 9/20 0.62
PGR P06401 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
TBXA2R P21731 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
PDE4A P27815 1/20 0.58
ADRA1A P35348 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL543437 0.89 PGR (0.66) PPARGPPARAPPARDPGRADORA3
SCHEMBL10211590 0.89 PGR (0.49) PPARGPPARAPPARDPGRADORA3
SCHEMBL542850 0.88 PGR (0.73) PPARGPPARAPPARDPGRADORA3
SCHEMBL543550 0.88 PGR (0.73) PPARGPPARAPPARDPGRADORA3
SCHEMBL27654978 0.85 PPARA (0.76) PPARGPPARAPPARD
SCHEMBL27674846 0.83 PPARA (0.84) PPARGPPARAPPARD
SCHEMBL5383887 0.83 PPARA (0.84) PPARGPPARAPPARD
SCHEMBL5383883 0.83 PPARA (0.84) PPARGPPARAPPARD
Benzene SCHEMBL1825335 0.83 PPARG (0.60) PPARGPPARAPPARDPGRADORA3
SCHEMBL7853921 0.83 PPARG (0.80) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110598-B2 (+-) Ethyl 3-{4-[2-(pyrrol-1-yl)ethoxy]phenyl}-2-ethoxypropanoate; hyperlipidaemia, hypercholesteremia, hyperglycemia, obesity, impaired glucose intolerance, leptin resistance, insulin resistance, reducing plasma glucose, triglycerides, total cholesterol, LDL, VLDL or free fatty acids in the plasma CADILA HEALTHCARE LIMITED (IN) 2012-02-07 US disclosed
US-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CADILLA HEALTHCARE LIMITED (IN) 2008-08-07 US disclosed
US-7323491-B2 Heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2008-01-29 US disclosed
US-6987123-B2 Heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2006-01-17 US disclosed
US-20040186099-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine LOHRAY BRAJ BHUSHAN (IN) 2004-09-23 US disclosed
US-20030199498-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED 2003-10-23 US 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 (3 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-20030199498-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CYP11B2, CYP11B1, MAPT PPARG 726/4885PPARA 624/4885PPARD 239/4885
US-20040186099-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CYP11B2, CYP11B1, MAPT PPARG 726/4885PPARA 624/4885PPARD 239/4885
US-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CYP11B2, MAPT, CYP11B1 PPARG 546/4885PPARA 483/4885PPARD 180/4885

“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.