SCHEMBL3607831

SCHEMBL3607831

CC(C)(C)C(=O)CC1CCCC(CC(=O)O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACE P12821 3/20 0.33
FOLH1 Q04609 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32

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
SCHEMBL10642674 0.85 TP53 (0.62) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL7414681 0.85 TP53 (0.62) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL3608667 0.77 TP53 (0.51) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL3587342 0.77 TP53 (0.51) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL10642729 0.77 TP53 (0.56) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL3970141 0.76 TP53 (0.33) TP53L3MBTL1ACE
SCHEMBL17964289 0.76 TP53 (0.50) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL3605160 0.76 TP53 (0.50) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL13543202 0.75 NPC1 (0.42)
SCHEMBL10639478 0.75 FOLH1 (0.53) TP53L3MBTL1ACEFOLH1ITGB3

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-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 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-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease APP, BACE1, CHAT TP53 1962/4885L3MBTL1 3182/4885ACE 620/4885

“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.