SCHEMBL542803

SCHEMBL542803

CCOC(C(=O)O)C(CC)c1ccc(OCCn2c(C)ccc2-c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
PPARG P37231 8/20 0.43
PPARA Q07869 8/20 0.43
FAAH O00519 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
PPARD Q03181 1/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL6076265 0.93 PGR (0.57) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6076601 0.92 PGR (0.55) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6076212 0.90 PGR (0.54) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6075613 0.89 DRD3 (0.52) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6076735 0.88 PGR (0.54) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL7616870 0.87 PGR (0.47) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6077620 0.84 PGR (0.47) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL7115539 0.83 PGR (0.54) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6076665 0.83 PGR (0.45) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6075484 0.82 PGR (0.45) 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 2 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

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-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CYP11B2, MAPT, CYP11B1 PGR 3145/4885ADORA3 1303/4885CHRM1 1435/4885

“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.