SCHEMBL4597252

SCHEMBL4597252

CC(C)c1ccc(-c2cc(CC(=O)O)ccc2OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.60
RXRA P19793 3/20 0.59
RXRB P28702 3/20 0.59
RXRG P48443 3/20 0.59
PSEN1 P49768 1/20 0.58
PSEN2 P49810 1/20 0.58
APH1B Q8WW43 1/20 0.58
NCSTN Q92542 1/20 0.58
APH1A Q96BI3 1/20 0.58
PSENEN Q9NZ42 1/20 0.58
PTGDR2 Q9Y5Y4 5/20 0.49
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
CASR P41180 3/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
FFAR1 O14842 3/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL4597766 0.90 CASR (0.48) PPARDRXRARXRBRXRGPSEN1
SCHEMBL4597814 0.87 PSEN1 (0.58) PPARDRXRARXRBRXRGPSEN1
SCHEMBL4597574 0.85 PSEN1 (0.80) PPARDRXRARXRBRXRGPSEN1
SCHEMBL4597643 0.82 PSEN1 (0.59) PPARDRXRARXRBRXRGPSEN1
SCHEMBL3576259 0.81 PPARD (0.57) PPARDRXRARXRBRXRGPSEN1
SCHEMBL4597141 0.79 PSEN1 (0.46) PPARDRXRARXRBRXRGPSEN1
SCHEMBL4597764 0.78 PSEN1 (0.57) PPARDRXRARXRBRXRGPSEN1
SCHEMBL4597689 0.77 CASR (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1201358 0.77 PSEN1 (0.62) PPARDRXRARXRBRXRGPSEN1
SCHEMBL6862797 0.77 PDK2 (0.67) PPARDRXRARXRBRXRGFFAR1

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 6 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
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 WO 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 PPARD 576/4885RXRA 944/4885RXRB 1026/4885

“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.