SCHEMBL3468103

SCHEMBL3468103

CC1(C)CC(=C(c2ccc(C=CC(=O)O)cc2)c2ccc(O)c(Cl)c2)CC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.41
CYP26A1 O43174 1/20 0.41
RXRA P19793 1/20 0.40
KDM4E B2RXH2 4/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
HSD17B10 Q99714 2/20 0.40
BACE1 P56817 2/20 0.40
HDAC2 Q92769 2/20 0.40
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40

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
SCHEMBL3468102 1.00 PTPN11 (0.41) PTPN11CYP26A1RXRAKDM4ECA12
SCHEMBL3468537 0.88 PTPN11 (0.42) PTPN11CYP26A1RXRAKDM4ECA12
SCHEMBL3468534 0.88 PTPN11 (0.42) PTPN11CYP26A1RXRAKDM4ECA12
SCHEMBL3468032 0.87 SNCA (0.50) PTPN11CYP26A1RXRAKDM4ECA12
SCHEMBL3468036 0.87 SNCA (0.50) PTPN11CYP26A1RXRAKDM4ECA12
SCHEMBL4252405 0.86 TTR (0.48) CA12CA1CA2CA7CA9
SCHEMBL4252409 0.86 TTR (0.48) CA12CA1CA2CA7CA9
SCHEMBL3468865 0.85 ESR1 (0.54) CYP26A1CA12CA1CA2CA3
SCHEMBL3468864 0.85 ESR1 (0.54) CYP26A1CA12CA1CA2CA3
SCHEMBL3069104 0.84 ESR1 (0.48) CYP26A1KDM4ECA12CA1CA2

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 14 patents. 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-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 PTPN11 2421/4885CYP26A1 342/4885RXRA 218/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG PTPN11 2421/4885CYP26A1 342/4885RXRA 218/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 PTPN11 2605/4885CYP26A1 295/4885RXRA 268/4885

“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.