SCHEMBL4254775

SCHEMBL4254775

CCC(=Cc1ccc(C(=C2CCCCC2)c2ccc(O)cc2C)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.42
ESR2 Q92731 6/20 0.42
TBXAS1 P24557 2/20 0.38
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGS2 P35354 1/20 0.34
RXRA P19793 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL4257994 0.90 ESR1 (0.40) ESR1ESR2TBXAS1EPHX2PPARG
SCHEMBL4261809 0.86 TBXAS1 (0.38) ESR1ESR2TBXAS1EPHX2PPARG
SCHEMBL4258010 0.83 ESR1 (0.41) ESR1ESR2TBXAS1EPHX2PPARG
SCHEMBL4258694 0.83 EPHX2 (0.37) ESR1ESR2TBXAS1EPHX2PPARG
SCHEMBL4254768 0.80 ESR1 (0.39) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL3467632 0.79 ESR1 (0.54) ESR1ESR2PGR
SCHEMBL3467630 0.79 ESR1 (0.54) ESR1ESR2PGR
SCHEMBL4253238 0.79 ESR1 (0.39) ESR1ESR2TBXAS1EPHX2PPARG
SCHEMBL4255132 0.79 ESR1 (0.39) ESR1ESR2TBXAS1EPHX2PPARG
SCHEMBL4257163 0.79 ESR1 (0.39) ESR1ESR2TBXAS1EPHX2PPARG

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 ESR1 3/4885ESR2 2/4885TBXAS1 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.