SCHEMBL2777333

SCHEMBL2777333

O=C(O)C1(c2ccc(-c3ccc(-c4ccc(O)cc4)c(F)c3)c(F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 1.00
CYP2C19 P33261 7/20 1.00
CYP3A4 P08684 7/20 1.00
CYP2C9 P11712 8/20 0.92
CYP2D6 P10635 3/20 0.92
AKR1C3 P42330 6/20 0.74
AKR1C2 P52895 6/20 0.74
AKR1C1 Q04828 3/20 0.74
AKR1B10 O60218 1/20 0.74
AKR1C4 P17516 1/20 0.74
PSEN1 P49768 1/20 0.70
PSEN2 P49810 1/20 0.70
APH1B Q8WW43 1/20 0.70
NCSTN Q92542 1/20 0.70
APH1A Q96BI3 1/20 0.70
PSENEN Q9NZ42 1/20 0.70
CYP1A2 P05177 1/20 0.57
HDAC1 Q13547 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL1371366 0.97 APP (0.97) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL2776247 0.93 APP (0.89) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL2777461 0.92 APP (0.87) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL5448540 0.90 APP (1.00) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL1371930 0.89 APP (0.82) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL411735 0.85 APP (0.76) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL1373506 0.82 APP (1.00) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL29926966 0.82 APP (1.00) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL1374530 0.82 APP (0.85) APPCYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL407631 0.82 APP (1.00) APPCYP2C19CYP3A4CYP2C9CYP2D6

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-20150065567-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND MULTIPLE SCLEROSIS CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-05 US claimed
US-20130165505-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-27 US claimed
US-7662995-B2 1-(2-Fluoro-4'-trifluoromethylbiphenyl-4-yl)cyclopropanecarboxylic acid, for example; treatment and/or prevention of Alzheimer's disease; inhibiting the release of A beta 42 peptide thereby being able to modulate gamma-secretase activity without affecting other important metabolic processes CHIESI FARMACEUTICI S.P.A. (IT) 2010-02-16 US claimed
US-9592210-B2 1-phenylalkanecarboxylic acid derivatives for the treatment of cognitive impairment CHIESI FARMACEUTICI S.P.A. (IT) 2017-03-14 US disclosed
US-20130165505-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-27 US 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-20130165505-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT PSEN1, PSEN2, NAT1 APP 15/4885CYP2C19 1159/4885CYP3A4 1746/4885
US-20150065567-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND MULTIPLE SCLEROSIS PSEN1, APP, PSEN2 APP 2/4885CYP2C19 3534/4885CYP3A4 3081/4885

“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.