SCHEMBL3587342

SCHEMBL3587342

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACE P12821 4/20 0.34
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
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
SLC1A2 P43004 1/20 0.32
THPO P40225 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL7414681 0.87 TP53 (0.62) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL10642674 0.87 TP53 (0.62) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL22273295 0.81 BRD4 (0.40) TP53L3MBTL1ACEKMT2A
SCHEMBL22264486 0.81 BRD4 (0.40) TP53L3MBTL1ACEKMT2A
SCHEMBL9968593 0.79 KMT2A (0.39) TP53L3MBTL1KMT2ATSHRALDH1A1
SCHEMBL3608667 0.79 TP53 (0.51) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL10642729 0.78 TP53 (0.56) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL17964252 0.78 TP53 (0.36) TP53L3MBTL1ITGB3ITGB2ITGB1
SCHEMBL17964289 0.77 TP53 (0.50) TP53L3MBTL1ACEFOLH1ITGB3
SCHEMBL3607831 0.77 TP53 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 US disclosed
EP-1948603-A1 TETRAHYDROINDOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2008-07-30 EP disclosed
WO-2007054739-A1 TETRAHYDROINDOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-05-18 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-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 TP53 3184/4885L3MBTL1 3835/4885ACE 348/4885

“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.