SCHEMBL1688009

SCHEMBL1688009

CCCCOc1ccc(C(=O)c2ccccc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.52
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CCND2 P30279 1/20 0.51
CCND3 P30281 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
PLA2G4B P0C869 1/20 0.50
PLK1 P53350 1/20 0.50

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
SCHEMBL9756579 0.91 PKM (0.54) HRH2HRH1MEN1KMT2A
SCHEMBL1687990 0.89 HRH2 (0.64) FAAHHRH2HRH1TP53TSHR
SCHEMBL11576266 0.84 L3MBTL1 (0.53) TP53TSHRMEN1KMT2ACCNB2
SCHEMBL1688036 0.83 FAAH (0.49) FAAHTP53TSHRPLA2G4B
SCHEMBL257257 0.81 LMNA (0.54) MEN1KMT2ACCNB2CCNE2CDK1
SCHEMBL27934133 0.81 TP53 (0.66) TP53TSHRPLA2G4BPLK1
SCHEMBL50280 0.81 GAA (0.72) TP53TSHRPLA2G4B
SCHEMBL10322210 0.81 PLK1 (0.54) PLK1
SCHEMBL8769969 0.81 TP53 (0.68) TP53TSHRMEN1KMT2APLA2G4B
SCHEMBL12755345 0.80 TP53 (0.60) TP53TSHRPLA2G4BPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200994-B1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARM INC (US) 2014-01-22 EP disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
WO-2009055734-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2009-04-30 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 (2 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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA FAAH 856/4885HRH2 1493/4885HRH1 1693/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA FAAH 856/4885HRH2 1493/4885HRH1 1693/4885

“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.