SCHEMBL4598147

SCHEMBL4598147

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.56
PSEN2 P49810 2/20 0.56
APH1B Q8WW43 2/20 0.56
NCSTN Q92542 2/20 0.56
APH1A Q96BI3 2/20 0.56
PSENEN Q9NZ42 2/20 0.56
APP P05067 2/20 0.51
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
BACE1 P56817 1/20 0.44
KDM1A O60341 1/20 0.43
CYP2C8 P10632 1/20 0.43
PTGDR2 Q9Y5Y4 8/20 0.42
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
LTB4R Q15722 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
SCHEMBL4596949 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5204708 0.80 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597367 0.79 APP (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597725 0.79 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597681 0.74 AKR1C3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597386 0.73 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597558 0.72 AKR1C3 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597071 0.72 CYP2C8 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597847 0.72 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3997259 0.72 HTR7 (0.44)

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
US-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 US disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP 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.