SCHEMBL803636

SCHEMBL803636

CCOCCOC(=O)[C@@H](C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
THRB P10828 2/20 0.46
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MMP8 P22894 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL804112 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL24388708 0.98 TSHR (0.50) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL20711104 0.85 TSHR (0.48) ALDH1A1TSHRTHRBHSD17B10GAA
SCHEMBL12392808 0.82 MEN1 (0.42) ALDH1A1TSHRTHRBHSD17B10CYP4F2
SCHEMBL20469685 0.82 TSHR (0.35) ALDH1A1TSHRHSD17B10CYP4F2CYP4A11
SCHEMBL20469651 0.82 TSHR (0.35) ALDH1A1TSHRHSD17B10CYP4F2CYP4A11
SCHEMBL12392809 0.82 TSHR (0.35) ALDH1A1TSHRHSD17B10CYP4F2CYP4A11
SCHEMBL803570 0.81 GRM1 (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL803788 0.81 GRM1 (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL12392803 0.81 MEN1 (0.32) ALDH1A1TSHRHSD17B10

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-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 ALDH1A1 834/4885TSHR 4680/4885THRB 2543/4885

“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.