SCHEMBL3468563

SCHEMBL3468563

CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3ccccc3)cc2)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.47
BCL2L1 Q07817 1/20 0.47
ESR1 P03372 4/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
DEGS1 O15121 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
HSD17B1 P14061 1/20 0.37
NTSR1 P30989 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 1/20 0.36
ESR2 Q92731 1/20 0.35

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
SCHEMBL3075044 0.92 ESR1 (0.50) ESR1MEN1KMT2AMAPTRAB9A
SCHEMBL3468408 0.88 ESR1 (0.56) ESR1MEN1KMT2AMAPTRAB9A
SCHEMBL3468080 0.88 ESR1 (0.51) BCL2L1ESR1MEN1KMT2AMAPT
SCHEMBL3468706 0.86 KMO (0.47) ESR1MEN1KMT2AMAPTRAB9A
SCHEMBL13161214 0.85 DEGS1 (0.45) ESR1DEGS1ALDH1A1
SCHEMBL27640751 0.84 ESR1 (0.39) MMP3BCL2L1ESR1MEN1KMT2A
SCHEMBL3469077 0.84 ESR1 (0.43) ESR1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3467813 0.83 ESR1 (0.44) ESR1MEN1KMT2AMAPTRAB9A
SCHEMBL3468278 0.83 FGFR1 (0.44) MMP3ESR1MEN1KMT2AHSD17B1
Gsk-232802 SCHEMBL3467757 0.83 ESR1 (0.55) ESR1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US claimed
JP-2007500705-A 2007-01-18 JP claimed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP claimed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO claimed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
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 MMP3 2206/4885BCL2L1 2375/4885ESR1 4/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG MMP3 2206/4885BCL2L1 2375/4885ESR1 4/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 MMP3 2120/4885BCL2L1 2524/4885ESR1 3/4885

“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.