SCHEMBL3467951

SCHEMBL3467951

CCOC(=O)CCCOc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ALDH2 P05091 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ESR1 P03372 1/20 0.40
LTA4H P09960 2/20 0.40
PDK2 Q15119 1/20 0.39

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
SCHEMBL3075855 0.91 LTA4H (0.47) CYSLTR2CYSLTR1MAPTBRD4SMN1; SMN2
SCHEMBL3087766 0.90 HRH2 (0.44) CYSLTR2CYSLTR1MAPTBRD4SMN1; SMN2
SCHEMBL3469364 0.86 ESR1 (0.47) ABCG2L3MBTL1ESR1
SCHEMBL3468331 0.83 ESR1 (0.57) CYSLTR2CYSLTR1MAPTBRD4SMN1; SMN2
SCHEMBL3466988 0.81 CYSLTR2 (0.59) CYSLTR2CYSLTR1MAPTBRD4SMN1; SMN2
SCHEMBL3468515 0.80 CYP19A1 (0.46) ESR1LTA4H
SCHEMBL3063182 0.78 PPARA (0.54) CYSLTR2CYSLTR1MAPTL3MBTL1ESR1
SCHEMBL3468411 0.78 ESR1 (0.49) MAPTSMN1; SMN2ESR1
SCHEMBL4729921 0.77 ESR1 (0.51) MAPTESR1
SCHEMBL3468576 0.77 PPARA (0.50) ESR1

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 CYSLTR2 117/4885CYSLTR1 133/4885MAPT 4523/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG CYSLTR2 117/4885CYSLTR1 133/4885MAPT 4523/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 CYSLTR2 154/4885CYSLTR1 212/4885MAPT 3451/4885

“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.