SCHEMBL6530132

SCHEMBL6530132

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 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
SCHEMBL7798176 0.80 ALDH1A1 (0.47) TSHRACHE
SCHEMBL5153162 0.78 CYP4F2 (0.41) TSHRCYP4F2CYP4A11
SCHEMBL14108253 0.76 TSHR (0.38) TSHRACHECYP4F2CYP4A11
SCHEMBL13313707 0.76 TSHR (0.38) TSHRACHECYP4F2CYP4A11
SCHEMBL150006 0.75 PRKCA (0.47) TSHRACHECYP4F2CYP4A11
SCHEMBL12227045 0.75 TSHR (0.41) TSHRACHECYP4F2CYP4A11
Ammonia Solution, Strong SCHEMBL27804637 0.73 PRKCA (0.45) TSHRACHECYP4F2CYP4A11
SCHEMBL13589787 0.73 TSHR (0.39) TSHRACHECYP4F2CYP4A11
SCHEMBL15377575 0.72 TSHR (0.37) TSHR
SCHEMBL852567 0.71 CYP4F2 (0.42) TSHRACHECYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050025826-A1 Sustained release compositions, process for producing the same and utilization thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-03 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-20050025826-A1 Sustained release compositions, process for producing the same and utilization thereof HCAR1, HCAR2, LIPA TSHR 3403/4885ACHE 1197/4885CYP4F2 1146/4885

“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.