SCHEMBL4093578

SCHEMBL4093578

O=COC1(c2ccc(-c3ccc(OC4CCC(C(F)(F)F)CC4)cc3)c(F)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.68
CYP2C9 P11712 6/20 0.68
CYP3A4 P08684 6/20 0.44
CYP2C19 P33261 6/20 0.44
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 1/20 0.44
FFAR4 Q5NUL3 1/20 0.34
AKR1C3 P42330 4/20 0.33
AKR1C2 P52895 4/20 0.33
AKR1C1 Q04828 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
ENPP2 Q13822 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL1374496 0.81 APP (1.00) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL5479423 0.75 APP (0.84) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1134058 0.70 APP (0.60) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL15741094 0.69 FAAH (0.48) APPCYP2C9
SCHEMBL1371389 0.68 APP (0.80) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1373512 0.66 APP (1.00) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1374640 0.66 APP (0.79) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL3936259 0.65 APP (0.90) APPCYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL15741120 0.63 APP (0.54) APPCYP2C9
SCHEMBL3942347 0.63 APP (0.92) APPCYP2C9CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531692-B2 Derivatives of 1-phenylalkanecarboxylic acids for the treatment of neurodegenerative diseases CHIESI FARMACEUTICI S.P.A. (IT) 2009-05-12 US disclosed
EP-1778623-B1 DERIVATIVES OF 1-PHENYLALKANECARBOXYLIC ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CHIESI FARMA SPA (IT) 2008-07-02 EP disclosed
US-20080096968-A1 Derivatives of 1-Phenylalkanecarboxylic Acids for the Treatment of Neurodegenerative Diseases CHIESI FARMACEUTICI S.P.A. (IT) 2008-04-24 US disclosed
EP-1778623-A2 DERIVATIVES OF 1-PHENYLALKANECARBOXYLIC ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CHIESI FARMACEUTICI S.p.A. (IT) 2007-05-02 EP disclosed
WO-2006016219-A2 DERIVATIVES OF 1-PHENYLALKANECARBOXYLIC ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2006-02-16 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-20080096968-A1 Derivatives of 1-Phenylalkanecarboxylic Acids for the Treatment of Neurodegenerative Diseases PSEN1, SNCA, PSEN2 APP 5/4885CYP2C9 2957/4885CYP3A4 2993/4885

“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.