SCHEMBL4862488

SCHEMBL4862488

CCCOC(Cc1ccc(OCCn2c(C)ccc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CHRM1 P11229 1/20 0.70
TBXA2R P21731 1/20 0.70
PTGS1 P23219 1/20 0.70
SLC6A2 P23975 1/20 0.70
PDE4A P27815 1/20 0.70
ADRA1A P35348 1/20 0.70
DRD3 P35462 1/20 0.70
PPARG P37231 18/20 0.58
PPARA Q07869 17/20 0.58
PPARD Q03181 4/20 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
SCHEMBL542847 0.93 PGR (0.72) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543002 0.93 PGR (0.81) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543001 0.93 PGR (0.81) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543632 0.93 PGR (0.81) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543186 0.92 PGR (0.63) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543173 0.92 PGR (0.61) PGRADORA3CHRM1TBXA2RPTGS1
Calcium SCHEMBL543457 0.92 PGR (0.79) PGRADORA3CHRM1TBXA2RPTGS1
Calcium SCHEMBL1336471 0.92 PGR (0.79) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543589 0.92 PGR (0.79) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL1336464 0.92 PGR (0.79) 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-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-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

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-20040186099-A1 Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine CYP11B2, CYP11B1, MAPT PGR 3233/4885ADORA3 1446/4885CHRM1 945/4885

“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.