SCHEMBL1257261

SCHEMBL1257261

Fc1ccc(C2=CCCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ACMSD Q8TDX5 2/20 0.45
PTGS2 P35354 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
MAPK14 Q16539 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HDAC3 O15379 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAX8 Q06710 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3243443 0.98 CASP3 (0.47) CASP3SENP8SENP7SENP6ACMSD
SCHEMBL362370 0.91 ACMSD (0.44) CASP3SENP8SENP7SENP6ACMSD
SCHEMBL10793933 0.86 ACMSD (0.53) CASP3SENP8SENP7SENP6ACMSD
SCHEMBL17070223 0.83 CASP3 (0.46) CASP3SENP8SENP7SENP6ACMSD
SCHEMBL1257281 0.80 CASP3 (0.47) CASP3SENP8SENP7SENP6ACMSD
SCHEMBL1255411 0.79 CHRNB4 (0.47) CASP3SENP8SENP7SENP6ACMSD
SCHEMBL13221420 0.79 MAPK14 (0.40) CASP3SENP8SENP7SENP6PTGS2
SCHEMBL23466964 0.78 MEN1 (0.54) ACMSDPTGS2HDAC1HDAC2KCNH2
SCHEMBL11655792 0.78 MEN1 (0.54) ACMSDPTGS2HDAC1HDAC2KCNH2
SCHEMBL16718964 0.78 PSMB5 (0.46) ACMSDPTGS2HDAC1HDAC2KCNH2

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-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-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-1747182-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTOR Acadia Pharmaceuticals Inc. (US) 2007-01-31 EP disclosed
US-20060122278-A1 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. 2006-06-08 US disclosed
US-20050256210-A1 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. 2005-11-17 US disclosed
WO-2005108337-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTOR ACADIA PHARMACEUTICALS INC. (US) 2005-11-17 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-20060122278-A1 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene GPER1, ESR1, ESR2 CASP3 1509/4885SENP8 2972/4885SENP7 4289/4885
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 CASP3 2256/4885SENP8 2347/4885SENP7 3943/4885
US-20050256210-A1 Compounds with activity at estrogen receptors ESR2, GPER1, ESRRG CASP3 2449/4885SENP8 1363/4885SENP7 2818/4885

“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.