SCHEMBL4257487

SCHEMBL4257487

CC(C)(C)OC(=O)/C=C/c1ccc(C(=C2CCCCCC2)c2cccc(O)c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.37
MIF P14174 1/20 0.37
CHRNA7 P36544 2/20 0.37
ESR1 P03372 5/20 0.34
ESR2 Q92731 4/20 0.34
SLC2A1 P11166 1/20 0.33
SLC2A4 P14672 1/20 0.33
DPP4 P27487 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
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
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL4257496 1.00 NR1H4 (0.37) NR1H4MIFCHRNA7ESR1ESR2
SCHEMBL4256098 0.91 ESR1 (0.43) NR1H4MIFCHRNA7ESR1ESR2
SCHEMBL4256092 0.91 ESR1 (0.43) NR1H4MIFCHRNA7ESR1ESR2
SCHEMBL4262516 0.86 ESR1 (0.48) NR1H4ESR1ESR2PGRCHRM2
SCHEMBL4262522 0.86 ESR1 (0.48) NR1H4ESR1ESR2PGRCHRM2
SCHEMBL3468460 0.84 MIF (0.54) NR1H4MIFCHRNA7ESR1ESR2
SCHEMBL3468457 0.84 MIF (0.54) NR1H4MIFCHRNA7ESR1ESR2
SCHEMBL4253216 0.81 ESR1 (0.44) NR1H4CHRNA7ESR1ESR2CTSL
SCHEMBL4253222 0.81 ESR1 (0.44) NR1H4CHRNA7ESR1ESR2CTSL
SCHEMBL4254773 0.79 SNCA (0.48) NR1H4ESR1ESR2PGRCHRM2

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 5 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
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO 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 NR1H4 21/4885MIF 1729/4885CHRNA7 2709/4885

“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.