SCHEMBL3468095

SCHEMBL3468095

CC1(C)CC(=C(c2ccc(Br)cc2)c2ccc(O)c(F)c2)CC(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 6/20 0.33
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 0.31
ESR2 Q92731 5/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
MIF P14174 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
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
SCHEMBL3467947 0.85 KDM4E (0.34) CYP19A1KDM4ELMNAHSD17B10ESR1
SCHEMBL3468242 0.84 LMNA (0.37) KDM4ELMNAHSD17B10ESR1ALDH1A1
SCHEMBL3468043 0.82 ESR1 (0.48) KDM4ELMNAESR1ESR2ALDH1A1
SCHEMBL3468036 0.79 SNCA (0.50) KDM4ELMNAHSD17B10ESR1CYP3A4
SCHEMBL3468032 0.79 SNCA (0.50) KDM4ELMNAHSD17B10ESR1CYP3A4
SCHEMBL4259314 0.78 SNCA (0.33) CYP19A1KDM4ELMNAHSD17B10ESR1
SCHEMBL3467959 0.76 ESR1 (0.38) CYP19A1KDM4ELMNAHSD17B10ESR1
SCHEMBL3468456 0.76 ESR1 (0.38) CYP19A1KDM4ELMNAHSD17B10ESR1
SCHEMBL4259321 0.76 SNCA (0.36) KDM4ELMNAHSD17B10ESR1SNCA
SCHEMBL4259312 0.74 CYP3A4 (0.49) ESR1CYP3A4SNCA

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 7 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
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 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 CYP19A1 9/4885KDM4E 1543/4885LMNA 4708/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG CYP19A1 9/4885KDM4E 1543/4885LMNA 4708/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 CYP19A1 7/4885KDM4E 1738/4885LMNA 4504/4885

“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.