SCHEMBL759273

SCHEMBL759273

C=Cc1cc(O[C@H](C)CC)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
NFE2L2 Q16236 1/20 0.35
ACACB O00763 3/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
FBP1 P09467 1/20 0.33
MAPT P10636 1/20 0.32
DHODH Q02127 2/20 0.31
THRB P10828 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4850079 1.00 FFAR4 (0.40) FFAR4HDAC1HDAC2HDAC8NFE2L2
SCHEMBL6932787 0.83 ALDH1A1 (0.40) FFAR4NFE2L2
SCHEMBL16956264 0.77 NQO1 (0.45) FFAR4MAPTHSD17B10
SCHEMBL757118 0.76 FFAR4 (0.43) FFAR4MAPTHSD17B10
SCHEMBL31550335 0.76 FFAR4 (0.43) FFAR4HDAC1HDAC2HDAC8ACACB
SCHEMBL5442396 0.74 NFE2L2 (0.49) NFE2L2
SCHEMBL4855749 0.73 FFAR4 (0.41) FFAR4ACACBGPBAR1CYSLTR1MAPT
SCHEMBL756384 0.73 FFAR4 (0.49) FFAR4ACACBGPBAR1CYSLTR1DHODH
SCHEMBL13074919 0.73 HTR2A (0.42) FFAR4HDAC8ACACB
SCHEMBL755279 0.73 FFAR4 (0.41) FFAR4ACACBGPBAR1CYSLTR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 FFAR4 3909/4885HDAC1 673/4885HDAC2 820/4885

“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.