SCHEMBL4596191

SCHEMBL4596191

O=C(O)C(CC1CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.59
PSEN2 P49810 4/20 0.59
APH1B Q8WW43 4/20 0.59
NCSTN Q92542 4/20 0.59
APH1A Q96BI3 4/20 0.59
PSENEN Q9NZ42 4/20 0.59
APP P05067 4/20 0.59
AKR1C3 P42330 10/20 0.48
AKR1C2 P52895 10/20 0.48
AKR1B10 O60218 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
KCNH2 Q12809 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL1203229 0.87 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1201930 0.87 APP (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1202130 0.86 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1202743 0.86 APP (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6473844 0.83 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597558 0.82 AKR1C3 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597117 0.81 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597484 0.81 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2645839 0.80 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597386 0.80 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP claimed
US-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 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 (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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 PSEN1 2/4885PSEN2 1/4885APH1B 69/4885

“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.