SCHEMBL3469301

SCHEMBL3469301

CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3ccoc3)cc2)CC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGER2 P43116 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B1 P14061 1/20 0.33
ERN1 O75460 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM1B Q8NB78 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
TOP2A P11388 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CXCR3 P49682 2/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL3082420 0.88 LPL (0.38) ESR1LPLLIPGSLC6A4SLC6A3
SCHEMBL3468408 0.82 ESR1 (0.56) ESR1SLC6A4SLC6A3SMN1; SMN2HSD17B1
SCHEMBL3468563 0.81 MMP3 (0.47) ESR1SMN1; SMN2HSD17B1
SCHEMBL3468080 0.79 ESR1 (0.51) ESR1HSD17B1
SCHEMBL3469077 0.78 ESR1 (0.43) ESR1SMN1; SMN2HSD17B1
SCHEMBL3469361 0.77 ESR1 (0.41) ESR1SLC6A4SLC6A3PTGER2ERN1
SCHEMBL3468894 0.77 ESR1 (0.41) ESR1SLC6A4SLC6A3PTGER2ERN1
SCHEMBL3468045 0.77 ESR1 (0.43) ESR1SMN1; SMN2HSD17B1ERN1
SCHEMBL13161286 0.77 MMP3 (0.53) ESR1SMN1; SMN2HSD17B1
SCHEMBL3075044 0.76 ESR1 (0.50) ESR1SMN1; SMN2

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 26 patents — showing the first 20. 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-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-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
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 ESR1 4/4885LPL 1862/4885LIPG 539/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG ESR1 4/4885LPL 1862/4885LIPG 539/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885LPL 1606/4885LIPG 213/4885

“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.