SCHEMBL3467936

SCHEMBL3467936

CC(=Cc1ccc(C(=C2CCCCCCC2)c2ccc(O)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.47
ESR2 Q92731 9/20 0.47
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
AR P10275 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MIF P14174 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NQO2 P16083 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34

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
SCHEMBL5606469 0.83 ALDH1A1 (0.50) ESR1ESR2MIFALDH1A1KDM4E
SCHEMBL3467638 0.82 ESR1 (0.53) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL5788365 0.82 ESR1 (0.53) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL3467636 0.82 ESR1 (0.53) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4252288 0.82 ESR1 (0.43) ESR1ESR2MIFALDH1A1KDM4E
SCHEMBL4252281 0.82 ESR1 (0.43) ESR1ESR2MIFALDH1A1KDM4E
SCHEMBL27640772 0.80 ESR1 (0.46) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4258948 0.80 ESR1 (0.60) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4257437 0.80 ESR1 (0.60) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4258952 0.80 ESR1 (0.60) ESR1ESR2PGRCHRM2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 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 ESR1 4/4885ESR2 1/4885PGR 10/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG ESR1 4/4885ESR2 1/4885PGR 10/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885ESR2 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.