SCHEMBL3467947

SCHEMBL3467947

CC1(C)CC(=C(c2ccc(Br)cc2)c2ccc(O)c(F)c2)CC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ESR1 P03372 2/20 0.33
CYP19A1 P11511 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SNCA P37840 1/20 0.32
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
FPR2 P25090 1/20 0.30

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
SCHEMBL3468095 0.85 CYP19A1 (0.34) KDM4ELMNAHSD17B10ESR1CYP19A1
SCHEMBL3468546 0.84 LMNA (0.38) LMNAHSD17B10ESR1
SCHEMBL3468180 0.81 ESR1 (0.49) KDM4EESR1ESR2ALDH1A1
SCHEMBL3468156 0.78 SNCA (0.51) KDM4ELMNAHSD17B10ESR1CYP3A4
SCHEMBL3468158 0.78 SNCA (0.51) KDM4ELMNAHSD17B10ESR1CYP3A4
SCHEMBL3073109 0.78 KMT2A (0.39) KDM4ELMNAESR1CYP3A4ALDH1A1
SCHEMBL4264968 0.78 SNCA (0.34) KDM4ELMNAHSD17B10ESR1SNCA
SCHEMBL3468456 0.77 ESR1 (0.38) KDM4ELMNAHSD17B10ESR1CYP19A1
SCHEMBL3467959 0.77 ESR1 (0.38) KDM4ELMNAHSD17B10ESR1CYP19A1
SCHEMBL4264978 0.75 SNCA (0.37) KDM4ELMNAHSD17B10ESR1SNCA

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 KDM4E 1543/4885LMNA 4708/4885HSD17B10 397/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG KDM4E 1543/4885LMNA 4708/4885HSD17B10 397/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 KDM4E 1738/4885LMNA 4504/4885HSD17B10 332/4885

“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.