SCHEMBL3468873

SCHEMBL3468873

O=C(O)c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA3 P07451 1/20 0.59
TYR P14679 1/20 0.59
DRD1 P21728 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
ESR1 P03372 8/20 0.54
ESR2 Q92731 6/20 0.54
SRD5A2 P31213 2/20 0.53
PGR P06401 1/20 0.51
CHRM2 P08172 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
AR P10275 1/20 0.51

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
SCHEMBL3468640 1.00 CA2 (0.59) CA2CA12CA1CA3TYR
SCHEMBL3468092 1.00 CA2 (0.59) CA2CA12CA1CA3TYR
SCHEMBL3468370 0.88 ESR1 (0.54) CA2CA12CA1CA3TYR
SCHEMBL3896286 0.88 ESR1 (0.54) CA2CA12CA1CA3TYR
SCHEMBL3902681 0.86 ESR1 (0.51) CA2CA12CA1CA3TYR
SCHEMBL3468161 0.80 CA1 (0.65) CA2CA12CA1CA7CA9
SCHEMBL3468090 0.80 CA1 (0.65) CA2CA12CA1CA7CA9
SCHEMBL3468109 0.80 CA1 (0.65) CA2CA12CA1CA7CA9
SCHEMBL3469105 0.80 RXRA (0.55) CA2CA12CA1CA3TYR
SCHEMBL30169488 0.80 NPC1 (0.54) ESR1ESR2PGRCHRM2ADORA3

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 28 patents — showing the first 20. 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 claimed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US claimed
JP-2007500705-A 2007-01-18 JP claimed
CN-1856461-A Cycloalkylene compounds as estrogen receptor modulators SMITHKLINE BEECHAM CORP (US) 2006-11-01 CN 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-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
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-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 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
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 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 CA2 2995/4885CA12 3230/4885CA1 3546/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG CA2 2995/4885CA12 3230/4885CA1 3546/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 CA2 1998/4885CA12 2173/4885CA1 2385/4885

“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.