SCHEMBL3069108

SCHEMBL3069108

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.48
ESR2 Q92731 4/20 0.48
PGR P06401 2/20 0.48
HCAR2 Q8TDS4 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
CYP26A1 O43174 1/20 0.44
SRD5A2 P31213 1/20 0.44
P4HB P07237 1/20 0.42

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
SCHEMBL3069104 1.00 ESR1 (0.48) ESR1ESR2PGRHCAR2HDAC3
SCHEMBL3468865 0.91 ESR1 (0.54) ESR1ESR2PGRHCAR2CYP26A1
SCHEMBL3468864 0.91 ESR1 (0.54) ESR1ESR2PGRHCAR2CYP26A1
SCHEMBL3075837 0.90 TNFRSF1A (0.46) ESR1ESR2HCAR2CYP26A1ALDH1A1
SCHEMBL3075832 0.90 TNFRSF1A (0.46) ESR1ESR2HCAR2CYP26A1ALDH1A1
SCHEMBL3075249 0.85 ESR1 (0.49) ESR1ESR2PGRHCAR2HDAC3
SCHEMBL3075252 0.85 ESR1 (0.49) ESR1ESR2PGRHCAR2HDAC3
SCHEMBL3468102 0.84 PTPN11 (0.41) ESR1ESR2HCAR2HDAC3HDAC4
SCHEMBL3468103 0.84 PTPN11 (0.41) ESR1ESR2HCAR2HDAC3HDAC4
SCHEMBL3468032 0.84 SNCA (0.50) ESR1ESR2HCAR2HDAC3HDAC4

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 10 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
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-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 ESR1 5/4885ESR2 2/4885PGR 10/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG ESR1 5/4885ESR2 2/4885PGR 10/4885

“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.