SCHEMBL13156166

SCHEMBL13156166

CC(=O)C(C)(C)CC(C)(C)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 3/20 0.32
TRPA1 O75762 1/20 0.32
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL16542592 0.88 TSHR (0.38) GAAALDH1A1MAPTPTGS1HMGCR
SCHEMBL9294282 0.87 GAA (0.40) GAAALDH1A1MAPTPTGS1TDP1
SCHEMBL673097 0.87 GAA (0.35) GAAALDH1A1MAPTPTGS1TDP1
SCHEMBL19696492 0.86 GAA (0.31) GAA
SCHEMBL22562661 0.86 LMNA (0.35) GAAALDH1A1MAPTPTGS1TDP1
SCHEMBL15799937 0.84 GAA (0.33) GAATSHRCYP2D6CYP2C19HIF1A
SCHEMBL23266468 0.82 GAA (0.32) GAA
SCHEMBL9947047 0.82 ALDH1A1 (0.39) GAAALDH1A1MAPTPTGS1
SCHEMBL13262289 0.82 ALDH1A1 (0.33) GAAALDH1A1MAPTPTGS1LMNA
SCHEMBL14297758 0.82 GAA (0.32) GAA

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
EP-2513141-B1 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK AS (DK) 2017-03-01 EP disclosed
US-7803568-B2 Carbodithioate ligands for nanotechnology and biosensing applications PURDUE RESEARCH FOUNDATION (US) 2010-09-28 US disclosed
US-7695820-B2 homo or comonomers selected from 1,6-dicarbonyl- 2,2,5,5- tetramethyl- hexane, 1,7-dicarbonyl- 2,2,6,6- tetramethyl- heptane, 1,9-dicarbonyl- 2,8-diethyl- 2,8-dimethyl- nonane and diols selected from 2,2-diethyl-1,3-propanediol, 2-ethyl-2-methyl-1,3-propanediol; lubrication for disk drive; heat resistanc THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-04-13 US disclosed
US-20080124776-A1 Carbodithioate Ligands For Nanotechnology and Methods of Use NATIONAL SCIENCE FOUNDATION 2008-05-29 US disclosed
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY (US) 2007-08-30 US disclosed
US-20070111037-A1 ALIPHATIC POLYESTERS AND LUBRICANTS CONTAINING THE POLYESTERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-05-17 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-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF GAA 3294/4885ALDH1A1 636/4885MAPT 3942/4885

“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.