SCHEMBL3468485

SCHEMBL3468485

CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(I)cc2)CC(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.49
APP P05067 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
ESR2 Q92731 1/20 0.32
HTT P42858 1/20 0.32
OPRD1 P41143 3/20 0.31
MEN1 O00255 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 2/20 0.31
KMT2A Q03164 2/20 0.31
TPMT P51580 1/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3468408 0.91 ESR1 (0.56) ESR1SMN1; SMN2ESR2HTTOPRD1
SCHEMBL3075044 0.85 ESR1 (0.50) ESR1SMN1; SMN2ESR2MEN1MAPT
SCHEMBL3068540 0.83 ESR1 (0.49) ESR1SMN1; SMN2ESR2OPRD1MEN1
SCHEMBL3468180 0.83 ESR1 (0.49) ESR1SMN1; SMN2ESR2MEN1MAPT
SCHEMBL5601135 0.82 ESR1 (0.48) ESR1SMN1; SMN2ESR2
SCHEMBL3468569 0.82 ESR1 (0.59) ESR1SMN1; SMN2ESR2HTTOPRD1
Gsk-232802 SCHEMBL3467757 0.82 ESR1 (0.55) ESR1SMN1; SMN2MEN1TP53KMT2A
SCHEMBL3468563 0.81 MMP3 (0.47) ESR1SMN1; SMN2ESR2MEN1MAPT
SCHEMBL3468554 0.81 ESR1 (0.54) ESR1SMN1; SMN2ESR2HTTOPRD1
SCHEMBL3467569 0.81 ESR1 (0.47) ESR1SMN1; SMN2ESR2OPRD1MEN1

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-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
CN-1856461-A Cycloalkylene compounds as estrogen receptor modulators SMITHKLINE BEECHAM CORP (US) 2006-11-01 CN 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 ESR1 4/4885APP 4598/4885SMN1; SMN2 4866/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG ESR1 4/4885APP 4598/4885SMN1; SMN2 4866/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885APP 3870/4885SMN1; SMN2 4776/4885

“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.