SCHEMBL3468339

SCHEMBL3468339

Oc1ccc(C(=C2CCCCCCC2)c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ESR1 P03372 9/20 0.48
ESR2 Q92731 8/20 0.48
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
GLB1 P16278 1/20 0.41
CTRB1 P17538 1/20 0.41
CTRC Q99895 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 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
SCHEMBL3468461 1.00 ALOX15 (0.50) ALOX15ESR1ESR2PGRCHRM2
SCHEMBL3467561 1.00 ALOX15 (0.50) ALOX15ESR1ESR2PGRCHRM2
SCHEMBL3468390 0.98 ALOX15 (0.52) ALOX15ESR1ESR2PGRCHRM2
SCHEMBL3468370 0.90 ESR1 (0.54) ALOX15ESR1ESR2PGRCHRM2
SCHEMBL3896286 0.90 ESR1 (0.54) ALOX15ESR1ESR2PGRCHRM2
SCHEMBL3902681 0.88 ESR1 (0.51) ALOX15ESR1ESR2PGRCHRM2
SCHEMBL3084800 0.85 CHRM2 (0.47) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL3469110 0.83 ALDH1A1 (0.44) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL3468479 0.82 ESR1 (0.38) ALOX15ESR1ESR2PGRCHRM2
SCHEMBL3467752 0.81 ALOX15 (0.46) 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.