SCHEMBL3468323

SCHEMBL3468323

CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3cccc(C=CC(=O)O)c3)cc2)CC(C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.50
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
ESR1 P03372 6/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ESR2 Q92731 3/20 0.39
CA12 O43570 1/20 0.39
AKR1B10 O60218 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
TYR P14679 1/20 0.39
AKR1B1 P15121 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
DPP4 P27487 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 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
SCHEMBL3468317 1.00 RELA (0.50) RELAHDAC2HDAC8ESR1TRIM24
SCHEMBL3467812 0.85 ESR1 (0.55) RELAESR1ESR2CA12AKR1B10
SCHEMBL3467807 0.85 ESR1 (0.55) RELAESR1ESR2CA12AKR1B10
SCHEMBL6507023 0.83 ESR1 (0.36) RELAESR1ESR2CA1CA2
SCHEMBL3468706 0.82 KMO (0.47) ESR1MEN1MAPTKMT2A
SCHEMBL3468563 0.80 MMP3 (0.47) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL2338063 0.80 HDAC2 (0.70) RELAHDAC2HDAC8ESR1TRIM24
SCHEMBL2338070 0.80 HDAC2 (0.70) RELAHDAC2HDAC8ESR1TRIM24
SCHEMBL3075249 0.79 ESR1 (0.49) HDAC2HDAC8ESR1ESR2CA12
SCHEMBL3075252 0.79 ESR1 (0.49) HDAC2HDAC8ESR1ESR2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RELA 1758/4885HDAC2 1551/4885HDAC8 559/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG RELA 1758/4885HDAC2 1551/4885HDAC8 559/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 RELA 1712/4885HDAC2 1089/4885HDAC8 403/4885

“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.