SCHEMBL3468460

SCHEMBL3468460

O=C(O)C=Cc1ccc(C(=C2CCCCCC2)c2cccc(O)c2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.54
CHRNA7 P36544 2/20 0.41
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
TYR P14679 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
P4HB P07237 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
SLC2A1 P11166 1/20 0.35
SLC2A4 P14672 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
NFKB1 P19838 1/20 0.34
CA4 P22748 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL3468457 1.00 MIF (0.54) MIFCHRNA7ESR1ESR2TYR
SCHEMBL3468027 0.90 MIF (0.58) MIFCHRNA7ESR1ESR2TYR
SCHEMBL3468024 0.90 MIF (0.58) MIFCHRNA7ESR1ESR2TYR
SCHEMBL3468071 0.90 MIF (0.58) MIFCHRNA7ESR1ESR2TYR
SCHEMBL3468067 0.90 MIF (0.58) MIFCHRNA7ESR1ESR2TYR
SCHEMBL4257487 0.84 NR1H4 (0.37) MIFCHRNA7ESR1ESR2NR1H4
SCHEMBL4257496 0.84 NR1H4 (0.37) MIFCHRNA7ESR1ESR2NR1H4
SCHEMBL3467930 0.83 ESR1 (0.55) ESR1ESR2TYRCA1CA2
SCHEMBL3467934 0.83 ESR1 (0.55) ESR1ESR2TYRCA1CA2
SCHEMBL4257498 0.80 CA12 (0.33) MIFCHRNA7ESR1ESR2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2184/4885CHRNA7 1204/4885ESR1 4/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG MIF 2184/4885CHRNA7 1204/4885ESR1 4/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 MIF 1729/4885CHRNA7 2709/4885ESR1 3/4885

“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.