SCHEMBL4990070

SCHEMBL4990070

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

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.66
AKR1C2 P52895 7/20 0.66
AKR1C1 Q04828 3/20 0.66
APP P05067 12/20 0.60
CYP2C19 P33261 6/20 0.60
CYP3A4 P08684 6/20 0.60
CYP2C9 P11712 6/20 0.60
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
AKR1B10 O60218 1/20 0.48
AKR1C4 P17516 1/20 0.48
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3945554 0.88 AKR1C3 (0.85) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL1374530 0.83 APP (0.85) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL1372754 0.80 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL3945557 0.77 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL29926966 0.75 APP (1.00) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL407631 0.75 APP (1.00) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL15302970 0.75 APP (0.67) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL15307670 0.74 APP (0.79) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL15307672 0.72 APP (0.59) AKR1C3AKR1C2AKR1C1APPCYP2C19
SCHEMBL15303088 0.72 APP (0.62) AKR1C3AKR1C2AKR1C1APPCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US 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-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 US claimed
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US disclosed
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US disclosed
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US disclosed
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US disclosed
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 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 (5 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-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

“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.