SCHEMBL4258694

SCHEMBL4258694

CCC(=Cc1ccc(C(=C2CCCCC2)c2ccc(O)c(F)c2F)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
PPARG P37231 1/20 0.37
TBXAS1 P24557 2/20 0.37
ESR1 P03372 7/20 0.36
ESR2 Q92731 5/20 0.36
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRD1 P41143 4/20 0.33
OPRM1 P35372 3/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL4261809 0.86 TBXAS1 (0.38) EPHX2PPARGTBXAS1ESR1ESR2
SCHEMBL4257994 0.84 ESR1 (0.40) EPHX2PPARGTBXAS1ESR1ESR2
SCHEMBL4253238 0.84 ESR1 (0.39) EPHX2PPARGTBXAS1ESR1ESR2
SCHEMBL4254775 0.83 ESR1 (0.42) EPHX2PPARGTBXAS1ESR1ESR2
SCHEMBL4258689 0.81 ESR1 (0.35) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4258010 0.81 ESR1 (0.41) EPHX2PPARGTBXAS1ESR1ESR2
SCHEMBL4255132 0.80 ESR1 (0.39) EPHX2PPARGTBXAS1ESR1ESR2
SCHEMBL4257163 0.80 ESR1 (0.39) EPHX2PPARGTBXAS1ESR1ESR2
SCHEMBL3467825 0.79 ESR1 (0.47) ESR1ESR2PGRRARB
SCHEMBL3467819 0.79 ESR1 (0.47) ESR1ESR2PGRRARB

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-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 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-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 EPHX2 1893/4885PPARG 38/4885TBXAS1 372/4885

“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.