SCHEMBL4258689

SCHEMBL4258689

CC/C(=C\C(=O)O)c1ccc(C(=C2CCCCC2)c2ccc(O)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
OPRD1 P41143 6/20 0.34
OPRM1 P35372 4/20 0.34
ESR2 Q92731 4/20 0.34
OPRK1 P41145 3/20 0.31

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
SCHEMBL4261805 0.85 ESR1 (0.36) ESR1PGRCHRM2ADORA3AR
SCHEMBL4257989 0.84 ESR1 (0.37) ESR1PGRCHRM2ADORA3AR
SCHEMBL4254768 0.83 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL4253232 0.83 ESR1 (0.39) ESR1PGRCHRM2ADORA3AR
SCHEMBL4258694 0.81 EPHX2 (0.37) ESR1PGRCHRM2ADORA3AR
SCHEMBL4258000 0.80 ESR1 (0.40) ESR1PGRCHRM2ADORA3AR
SCHEMBL3467825 0.79 ESR1 (0.47) ESR1PGRESR2
SCHEMBL3467819 0.79 ESR1 (0.47) ESR1PGRESR2
SCHEMBL4255125 0.78 HSP90AA1 (0.41) ESR1PGRCHRM2ADORA3AR
SCHEMBL4257160 0.78 HSP90AA1 (0.41) ESR1PGRCHRM2ADORA3AR

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 3/4885PGR 10/4885CHRM2 1433/4885

“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.