SCHEMBL3468446

SCHEMBL3468446

CC1(C)CCC(=C(c2ccc(O)cc2)c2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
ESR1 P03372 6/20 0.42
ESR2 Q92731 5/20 0.39
RXRA P19793 2/20 0.36
RARB P10826 1/20 0.36
GLB1 P16278 1/20 0.36
CTRB1 P17538 1/20 0.36
CTRC Q99895 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNH2 Q12809 2/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL3469105 0.82 RXRA (0.55) ESR1RXRARARBMEN1KMT2A
SCHEMBL3468390 0.80 ALOX15 (0.52) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL3468180 0.80 ESR1 (0.49) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL3468461 0.79 ALOX15 (0.50) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL3467561 0.79 ALOX15 (0.50) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL3468339 0.79 ALOX15 (0.50) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL3468232 0.78 CA1 (0.59) ALOX15ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL3467752 0.76 ALOX15 (0.46) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL3468244 0.76 ALOX15 (0.46) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL3468043 0.75 ESR1 (0.48) ALOX15ESR1ESR2GLB1CTRB1

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 9 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
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 ALOX15 1470/4885ESR1 4/4885ESR2 1/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG ALOX15 1470/4885ESR1 4/4885ESR2 1/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ALOX15 914/4885ESR1 3/4885ESR2 2/4885

“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.