SCHEMBL13779183

SCHEMBL13779183

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL10000291 0.85 CYP4F2 (0.44) TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL14770357 0.85 CYP4F2 (0.37) TSHRCYP4F2CYP4A11
SCHEMBL26420457 0.82 TSHR (0.32) TSHR
SCHEMBL18068804 0.82 TSHR (0.32) TSHRCYP4F2CYP4A11
SCHEMBL17678856 0.80 TSHR (0.33) TSHR
SCHEMBL16078099 0.79 TSHR (0.38) TSHR
SCHEMBL29328186 0.79
SCHEMBL20512197 0.78 TSHR (0.38) TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL837877 0.78 TSHR (0.38) TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL8094002 0.78 CYP4F2 (0.48) TSHRALDH1A1CYP4F2CYP4A11

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-20090176866-A1 Complexes having adjuvant activity POLYTHERICS LIMITED (GB) 2009-07-09 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-20090176866-A1 Complexes having adjuvant activity MYD88, TLR3, TLR9 TSHR 3807/4885ALDH1A1 2687/4885CYP4F2 4772/4885

“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.