SCHEMBL4034169

SCHEMBL4034169

CCOC(CCCS(=O)(=O)O)c1ccc(OCCn2c(C)ccc2-c2ccc(C)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
FFAR1 O14842 7/20 0.33
PPARG P37231 3/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARA Q07869 3/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL4028903 0.86 PGR (0.40) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4029783 0.86 PGR (0.39) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026186 0.86 PGR (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026154 0.85 PGR (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026124 0.79 PGR (0.42) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4031259 0.79 MKNK1 (0.38) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL6076665 0.76 PGR (0.45) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4028898 0.75 PGR (0.44) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL4026183 0.75 PGR (0.41) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL1338276 0.74 PGR (0.67) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US claimed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 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 (2 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-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PGR 3869/4885ADORA3 152/4885CHRM1 2345/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 PGR 3869/4885ADORA3 152/4885CHRM1 2345/4885

“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.