SCHEMBL4597139

SCHEMBL4597139

CCCc1cc(C(F)(F)F)ccc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.37
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
HRH4 Q9H3N8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CETP P11597 1/20 0.31
IDO1 P14902 1/20 0.31
ACHE P22303 1/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
PDE2A O00408 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PGR P06401 1/20 0.31
LIPE Q05469 1/20 0.30

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
SCHEMBL830424 0.86 CYP3A4 (0.33) CYP3A4CYP2D6IDO1PDE2A
SCHEMBL16648469 0.79 PTGDR2 (0.34) PDE2A
SCHEMBL829759 0.78 PDE2A (0.33) CYP3A4CYP2D6IDO1PDE2A
SCHEMBL829465 0.77 MEN1 (0.35) PDE2A
SCHEMBL830877 0.69 NR3C1 (0.31)
SCHEMBL30661999 0.69 MGLL (0.39) PPARAPPARGPPARDCYP3A4CYP2D6
SCHEMBL25977970 0.69 PPARG (0.43) PPARAPPARGPPARDHRH4CYP3A4
SCHEMBL3273222 0.68 VDR (0.46) PPARAPPARGPPARDPGR
SCHEMBL831060 0.68 CXCR2 (0.34) NR1H2NR1H3
SCHEMBL1400639 0.68 ESR1 (0.51) PPARAPPARGPPARDHRH4CYP2D6

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 PPARA 164/4885PPARG 157/4885PPARD 576/4885

“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.