SCHEMBL3469102

SCHEMBL3469102

O=C(c1ccc(O)cc1)c1ccc(OCCOCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ APP P05067 6/20 0.53
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALDH2 P05091 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LSS P48449 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ RARB P10826 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP1 P29466 1/20 0.46

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
SCHEMBL14901578 1.00 GAA (0.61) GAAAPPLMNAMAPTESR1
SCHEMBL5780070 0.93 GAA (0.69) GAAAPPLMNAMAPTPKM
SCHEMBL14908409 0.90 APP (0.53) GAAAPPLMNAMAPTPKM
SCHEMBL3469196 0.90 GAA (0.74) GAALMNAMAPTESR1ESR2
SCHEMBL1815639 0.88 APP (0.64) APPLMNAALDH2L3MBTL1CYP19A1
SCHEMBL1412776 0.88 APP (0.64) APPLMNAALDH2L3MBTL1CYP19A1
SCHEMBL1412773 0.88 APP (0.64) APPLMNAALDH2L3MBTL1CYP19A1
SCHEMBL1412728 0.88 APP (0.64) APPLMNAALDH2L3MBTL1CYP19A1
SCHEMBL6172586 0.87 GAA (0.81) GAALMNAMAPTPKMHTT
SCHEMBL3069211 0.87 GAA (0.81) GAALMNAMAPTPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 4311/4885APP 4598/4885LMNA 4708/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG GAA 4311/4885APP 4598/4885LMNA 4708/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 GAA 2903/4885APP 3870/4885LMNA 4504/4885

“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.

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