SCHEMBL4257989

SCHEMBL4257989

CC/C(=C\C(=O)O)c1ccc(C(=C2CCCCC2)c2ccc(O)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.37
ESR2 Q92731 6/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HSP90AB1 P08238 1/20 0.35
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
RXRA P19793 3/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
MIF P14174 1/20 0.33
ESRRG P62508 1/20 0.32
PDPK1 O15530 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL4254768 0.90 ESR1 (0.39) ESR1ESR2HSP90AB1PGRCHRM2
SCHEMBL4258689 0.84 ESR1 (0.35) ESR1ESR2OPRM1OPRD1PGR
SCHEMBL4253232 0.83 ESR1 (0.39) ESR1ESR2OPRM1OPRD1PGR
SCHEMBL4261805 0.81 ESR1 (0.36) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4257994 0.81 ESR1 (0.40) ESR1ESR2OPRM1OPRD1HSP90AB1
SCHEMBL4258861 0.79 ESR1 (0.38) ESR1ESR2OPRM1OPRD1PGR
SCHEMBL3467527 0.79 ESR1 (0.52) ESR1ESR2PGRMIFALDH1A1
SCHEMBL3467521 0.79 ESR1 (0.52) ESR1ESR2PGRMIFALDH1A1
SCHEMBL4258000 0.78 ESR1 (0.40) ESR1ESR2OPRM1OPRD1PGR
SCHEMBL4255125 0.76 HSP90AA1 (0.41) ESR1ESR2OPRM1OPRD1HSP90AB1

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 2/4885OPRM1 211/4885

“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.