SCHEMBL3468706

SCHEMBL3468706

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ESR1 P03372 1/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
TDP2 O95551 1/20 0.42
ERN1 O75460 1/20 0.41
HPGD P15428 1/20 0.41
EGFR P00533 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXRG P48443 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
BCL2 P10415 1/20 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
SCHEMBL3468462 0.89 ESR1 (0.43) ESR1TDP2ERN1HPGDMEN1
SCHEMBL3468080 0.88 ESR1 (0.51) RARARARBRARGLMNAESR1
SCHEMBL3468563 0.86 MMP3 (0.47) LMNAGAAESR1EGFRMEN1
Gsk-232802 SCHEMBL3467757 0.84 ESR1 (0.55) RARARARBRARGESR1RXRA
SCHEMBL3468323 0.82 RELA (0.50) ESR1MEN1KMT2AMAPT
SCHEMBL3468317 0.82 RELA (0.50) ESR1MEN1KMT2AMAPT
SCHEMBL3075044 0.81 ESR1 (0.50) LMNAESR1HPGDMEN1KMT2A
SCHEMBL3468278 0.81 FGFR1 (0.44) RARARARBRARGESR1MEN1
SCHEMBL3073095 0.80 TSHR (0.47) RARARARBRARGLMNAESR1
Hydroquinone SCHEMBL20987269 0.78 KMO (0.69) KMOLMNAGAAESR1RXRA

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 KMO 3712/4885RARA 517/4885RARB 265/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG KMO 3712/4885RARA 517/4885RARB 265/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 KMO 3282/4885RARA 570/4885RARB 261/4885

“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.