SCHEMBL6805916

SCHEMBL6805916

CCOC(=O)C(Cc1ccc(OCCn2c(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(-c4ccccc4)c3)c2C(C)C)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
PPARA Q07869 13/20 0.43
PPARG P37231 12/20 0.43
PPARD Q03181 3/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TRPV4 Q9HBA0 1/20 0.39
MGLL Q99685 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL542880 0.95 PGR (0.46) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL542891 0.89 PPARG (0.53) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL542933 0.82 SLCO1B1 (0.54) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543511 0.81 PGR (0.49) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL542949 0.81 PGR (0.60) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543539 0.79 PPARA (0.50) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543536 0.79 SLCO1B1 (0.53) PPARAPPARGPPARD
SCHEMBL543852 0.78 PGR (0.58) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL16456486 0.76 PPARG (0.55) PGRADORA3CHRM1TBXA2RPTGS1
SCHEMBL543237 0.76 SLCO1B1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed

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.