SCHEMBL3075134

SCHEMBL3075134

CC1(C)CC(=C(c2ccccc2)c2ccc(OCCO)cc2)CC(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
CYP19A1 P11511 3/20 0.45
NR1I2 O75469 1/20 0.43
ESR1 P03372 4/20 0.39
ESR2 Q92731 3/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
ESRRG P62508 2/20 0.37
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
LSS P48449 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PPARA Q07869 1/20 0.36
OPRM1 P35372 2/20 0.36

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
SCHEMBL3068312 0.93 GAA (0.44) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL13270281 0.92 GAA (0.46) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL3082856 0.88 NR1I2 (0.42) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL3081636 0.85 GAA (0.52) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL3075692 0.82 PLA2G7 (0.39) ALDH1A1NR1I2ESR1ESR2CYP3A4
SCHEMBL3081328 0.79 GAA (0.45) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL3073731 0.78 GAA (0.43) GAACYP19A1ESR1ESR2ESRRG
SCHEMBL3074951 0.76 TSHR (0.45) GAAALDH1A1ESR1PKMMAPT
SCHEMBL3468515 0.75 CYP19A1 (0.46) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL13270235 0.74 GAA (0.51) GAAALDH1A1RECQLCYP19A1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US claimed
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP claimed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US claimed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US claimed
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US disclosed
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US disclosed
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US disclosed
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP disclosed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US disclosed
EP-1891026-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Smithkline Beecham Corporation (US) 2008-02-27 EP disclosed
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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 (2 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-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG GAA 3716/4885ALDH1A1 928/4885RECQL 4657/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG GAA 3716/4885ALDH1A1 928/4885RECQL 4657/4885

“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.