SCHEMBL4597659

SCHEMBL4597659

CC(C)c1ccc(-c2cc(CCC(=O)O)ccc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.61
PSEN2 P49810 2/20 0.61
APH1B Q8WW43 2/20 0.61
NCSTN Q92542 2/20 0.61
APH1A Q96BI3 2/20 0.61
PSENEN Q9NZ42 2/20 0.61
FFAR1 O14842 9/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
FFAR4 Q5NUL3 3/20 0.48
PPARA Q07869 4/20 0.45
PPARD Q03181 3/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PPARG P37231 2/20 0.42
FFAR2 O15552 1/20 0.42

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
SCHEMBL4597574 0.88 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4624986 0.80 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597658 0.79 AKR1C3 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20613278 0.78 PPARA (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597847 0.76 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27663943 0.76 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597814 0.74 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597252 0.74 PPARD (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL879572 0.74 ALDH1A1 (0.59) FFAR1FFAR4
SCHEMBL117230 0.74 FFAR1 (0.73) FFAR1FFAR4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1993120-B Arylacetic acids and related compounds for treatment of alzheimer's disease MERCK SHARP & DOHME BLURTON PETER 2010-05-05 CN disclosed
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
CN-1993120-A Arylacetic acids and related compounds for treatment of alzheimer's disease MERCK SHARP & DOHME BLURTON PE (GB) 2007-07-04 CN 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.