SCHEMBL3468027

SCHEMBL3468027

O=C(O)C=Cc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.58
ESR1 P03372 11/20 0.48
ESR2 Q92731 8/20 0.48
CHRNA7 P36544 1/20 0.38
CA12 O43570 1/20 0.38
AKR1B10 O60218 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
TYR P14679 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
DPP4 P27487 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL3468067 1.00 MIF (0.58) MIFESR1ESR2CHRNA7CA12
SCHEMBL3468024 1.00 MIF (0.58) MIFESR1ESR2CHRNA7CA12
SCHEMBL3468071 1.00 MIF (0.58) MIFESR1ESR2CHRNA7CA12
SCHEMBL3468460 0.90 MIF (0.54) MIFESR1ESR2CHRNA7CA12
SCHEMBL3468457 0.90 MIF (0.54) MIFESR1ESR2CHRNA7CA12
SCHEMBL3468153 0.86 ESR1 (0.49) MIFESR1ESR2CHRNA7CA12
SCHEMBL3468150 0.86 ESR1 (0.49) MIFESR1ESR2CHRNA7CA12
SCHEMBL4256098 0.83 ESR1 (0.43) MIFESR1ESR2CHRNA7AKR1B10
SCHEMBL4256092 0.83 ESR1 (0.43) MIFESR1ESR2CHRNA7AKR1B10
SCHEMBL3468667 0.83 ESR1 (0.44) MIFESR1ESR2PGRCHRM2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US claimed
JP-2007500705-A 2007-01-18 JP claimed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP claimed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO claimed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US disclosed
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 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 (3 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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG MIF 2184/4885ESR1 4/4885ESR2 1/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG MIF 2184/4885ESR1 4/4885ESR2 1/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 MIF 1729/4885ESR1 3/4885ESR2 2/4885

“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.