SCHEMBL3945554

SCHEMBL3945554

O=C(O)C1(c2ccc(-c3cc(Cl)cc(Cl)c3)c(F)c2)CC1.O=C(O)C1(c2ccc(-c3ccc(F)c(Cl)c3)c(F)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.85
AKR1C2 P52895 7/20 0.85
AKR1C1 Q04828 3/20 0.85
APP P05067 12/20 0.77
CYP2C9 P11712 7/20 0.77
CYP2C19 P33261 6/20 0.77
CYP3A4 P08684 6/20 0.77
PSEN1 P49768 1/20 0.77
PSEN2 P49810 1/20 0.77
APH1B Q8WW43 1/20 0.77
NCSTN Q92542 1/20 0.77
APH1A Q96BI3 1/20 0.77
PSENEN Q9NZ42 1/20 0.77
AKR1B10 O60218 1/20 0.62
AKR1C4 P17516 1/20 0.62
CYP2D6 P10635 3/20 0.62
CYP1A2 P05177 1/20 0.49

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
SCHEMBL1374530 0.95 APP (0.85) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL1372754 0.92 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL4990070 0.88 AKR1C3 (0.66) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL29926966 0.87 APP (1.00) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL407631 0.87 APP (1.00) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL1371930 0.83 APP (0.82) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL2794766 0.81 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL5448540 0.79 APP (1.00) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL2777333 0.78 APP (1.00) AKR1C3AKR1C2AKR1C1APPCYP2C9
SCHEMBL1371366 0.78 APP (0.97) AKR1C3AKR1C2AKR1C1APPCYP2C9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2046119-A2 TREATMENT OF PSYCHIATRIC DISORDERS Myriad Genetics, Inc. (US) 2009-04-15 EP disclosed
WO-2008036733-A2 METHODS FOR TREATMENT OF VESICLE TRANSPORT DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-27 WO disclosed
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US disclosed
WO-2008006099-A2 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INC. (US) 2008-01-10 WO disclosed
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-04-05 US disclosed
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 US disclosed
WO-2006020852-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed
WO-2006020853-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 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 (7 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 517/4885AKR1C1 558/4885
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 454/4885AKR1C2 787/4885AKR1C1 845/4885
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 484/4885AKR1C2 861/4885AKR1C1 925/4885
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES PSEN2, APP, PSEN1 AKR1C3 1915/4885AKR1C2 2052/4885AKR1C1 2749/4885
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 454/4885AKR1C2 787/4885AKR1C1 845/4885
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS SLC6A3, SLC6A2, FKBP5 AKR1C3 2969/4885AKR1C2 2443/4885AKR1C1 2755/4885
US-20050288375-A1 Method and composition for treating neurodegenerative disorders GRIN2A, GRIN2B, GRIN3A AKR1C3 160/4885AKR1C2 446/4885AKR1C1 462/4885

“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.