SCHEMBL3468546

SCHEMBL3468546

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ESR1 P03372 1/20 0.33
DPP4 P27487 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL3468242 0.85 LMNA (0.37) LMNASMN1; SMN2HSP90AA1HSP90AB1ESR1
SCHEMBL3467947 0.84 KDM4E (0.34) LMNAESR1HSD17B10
SCHEMBL3468180 0.81 ESR1 (0.49) SMN1; SMN2HSP90AA1ESR1
SCHEMBL3468534 0.78 PTPN11 (0.42) LMNAESR1DPP4TSHRHSD17B10
SCHEMBL3468537 0.78 PTPN11 (0.42) LMNAESR1DPP4TSHRHSD17B10
SCHEMBL3073109 0.78 KMT2A (0.39) LMNASMN1; SMN2ESR1
SCHEMBL4255138 0.78 HSP90AA1 (0.39) HSP90AA1HSP90AB1ESR1CA2OPRM1
SCHEMBL3468510 0.77 LMNA (0.48) LMNASMN1; SMN2HSP90AA1HSP90AB1ESR1
SCHEMBL3468127 0.77 LMNA (0.48) LMNASMN1; SMN2HSP90AA1HSP90AB1ESR1
SCHEMBL4255146 0.75 HSP90AA1 (0.37) HSP90AA1HSP90AB1ESR1OPRM1OPRD1

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 LMNA 4708/4885SMN1; SMN2 4866/4885HSP90AA1 2320/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG LMNA 4708/4885SMN1; SMN2 4866/4885HSP90AA1 2320/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 LMNA 4504/4885SMN1; SMN2 4776/4885HSP90AA1 2233/4885

“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.