SCHEMBL7056699

SCHEMBL7056699

COc1ccc(C2(c3ccc(Br)cc3)C=CC(=O)CC2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.54
PDE4A P27815 19/20 0.54
PDE4C Q08493 18/20 0.54
PDE4D Q08499 18/20 0.54

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
SCHEMBL14531563 1.00 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL6923658 0.83 PDE4A (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL13986138 0.78 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL14531844 0.77 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL14260464 0.77 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL129356 0.72 PDE4A (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL5704271 0.71 PDE4A (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL9282814 0.71 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL6172991 0.70 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7418485 0.70 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 US disclosed
US-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 US disclosed
WO-2008033894-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 WO disclosed
WO-2007056500-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-05-18 WO disclosed
EP-1202955-A4 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-6518306-B1 PDE4 inhibitors particularly in regards to treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed
EP-1202955-A2 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES SmithKline Beecham Corporation (US) 2002-05-08 EP disclosed
WO-2001010385-A2 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES SMITHKLINE BEECHAM CORPORATION (US) 2001-02-15 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 (1 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-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 PDE4B 2669/4885PDE4A 2272/4885PDE4C 3355/4885

“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.