SCHEMBL4596273

SCHEMBL4596273

CCCC(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 18/20 0.55
AKR1C2 P52895 18/20 0.55
AKR1B10 O60218 2/20 0.52
AKR1C4 P17516 2/20 0.52
AKR1C1 Q04828 2/20 0.52
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 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
SCHEMBL4597386 0.91 PSEN1 (0.54) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL4597681 0.84 AKR1C3 (0.51) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL4597248 0.83 PSEN1 (0.63) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL27763722 0.81 AKR1C3 (0.65) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL4597558 0.81 AKR1C3 (0.65) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL4038598 0.80 PSEN1 (0.61) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4597484 0.80 PSEN1 (0.52) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL4037426 0.79 PSEN1 (0.55) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4597117 0.77 PSEN1 (0.72) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL4595664 0.77 PSEN1 (0.49) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1

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 AKR1C3 521/4885AKR1C2 476/4885AKR1B10 732/4885

“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.