SCHEMBL1373495

SCHEMBL1373495

O=C(O)C1(c2ccc(-c3cccc(OC(F)(F)F)c3)c(F)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.69
AKR1C2 P52895 6/20 0.69
APP P05067 10/20 0.60
AKR1C1 Q04828 3/20 0.60
CYP2C9 P11712 7/20 0.59
CYP2C19 P33261 6/20 0.59
CYP3A4 P08684 6/20 0.59
AKR1B10 O60218 1/20 0.57
AKR1C4 P17516 1/20 0.57
PSEN1 P49768 1/20 0.57
PSEN2 P49810 1/20 0.57
APH1B Q8WW43 1/20 0.57
NCSTN Q92542 1/20 0.57
APH1A Q96BI3 1/20 0.57
PSENEN Q9NZ42 1/20 0.57
CYP2D6 P10635 3/20 0.56
CYP1A2 P05177 1/20 0.50
DHODH Q02127 2/20 0.45

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
SCHEMBL1374499 0.87 APP (0.71) AKR1C3AKR1C2APPAKR1C1CYP2C9
SCHEMBL3945103 0.86 AKR1C3 (0.80) AKR1C3AKR1C2APPAKR1C1CYP2C9
SCHEMBL21826168 0.82 HDAC3 (0.48) AKR1C3AKR1C2APPAKR1C1
SCHEMBL1373508 0.82 AKR1C3 (1.00) AKR1C3AKR1C2APPAKR1C1CYP2C9
SCHEMBL5790831 0.82 AKR1C3 (0.49) AKR1C3AKR1C2APPAKR1C1CYP2C9
SCHEMBL411735 0.81 APP (0.76) AKR1C3AKR1C2APPAKR1C1CYP2C9
SCHEMBL19469650 0.77 AKR1C1 (0.50) AKR1C3AKR1C2AKR1C1DHODH
SCHEMBL21874201 0.76 APP (0.69) AKR1C3AKR1C2APPAKR1C1CYP2C9
SCHEMBL1371930 0.76 APP (0.82) AKR1C3AKR1C2APPAKR1C1CYP2C9
SCHEMBL1373506 0.75 APP (1.00) AKR1C3AKR1C2APPAKR1C1CYP2C9

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 41 patents — showing the first 20. 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
EP-2046119-A2 TREATMENT OF PSYCHIATRIC DISORDERS Myriad Genetics, Inc. (US) 2009-04-15 EP claimed
WO-2008036733-A2 METHODS FOR TREATMENT OF VESICLE TRANSPORT DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-27 WO claimed
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US claimed
WO-2008006099-A2 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INC. (US) 2008-01-10 WO claimed
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-04-05 US claimed
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 US claimed
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
WO-2006020852-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
WO-2006020853-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO 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
WO-2015173133-A1 FORMULATIONS AND METHODS OF TREATING ALZHEIMER'S DISEASE AND OTHER PROTEINOPATHIES BY COMBINATION THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-19 WO disclosed
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed
WO-2006001877-A2 COMBINATION TREATMENT FOR NEURODEGENERATIVE DISORDERS COMPRISING R-FLURBIPROFEN MYRIAD GENETICS, INC. (US) 2006-01-05 WO disclosed
US-20050288375-A1 Method and composition for treating neurodegenerative disorders MYRIAD GENETICS, INCORPORATED (US) 2005-12-29 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 (9 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-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MME, AVPR1B, AVPR2 AKR1C3 813/4885AKR1C2 517/4885APP 2522/4885
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 454/4885AKR1C2 787/4885APP 21/4885
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 484/4885AKR1C2 861/4885APP 29/4885
US-20130165505-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT PSEN1, PSEN2, NAT1 AKR1C3 505/4885AKR1C2 615/4885APP 15/4885
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES PSEN2, APP, PSEN1 AKR1C3 1915/4885AKR1C2 2052/4885APP 2/4885
US-20150065567-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND MULTIPLE SCLEROSIS PSEN1, APP, PSEN2 AKR1C3 740/4885AKR1C2 846/4885APP 2/4885
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 454/4885AKR1C2 787/4885APP 21/4885
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS SLC6A3, SLC6A2, FKBP5 AKR1C3 2969/4885AKR1C2 2443/4885APP 2500/4885
US-20050288375-A1 Method and composition for treating neurodegenerative disorders GRIN2A, GRIN2B, GRIN3A AKR1C3 160/4885AKR1C2 446/4885APP 8/4885

“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.