SCHEMBL21023743

SCHEMBL21023743

C=C(C)C(=O)OC(C)(C)CC(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
THRB P10828 1/20 0.42
TSHR P16473 4/20 0.37
ALDH1A1 P00352 7/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
GLO1 Q04760 1/20 0.32
CYP1A2 P05177 1/20 0.32
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
SCHEMBL20798785 0.82 ALDH1A1 (0.34) THRBTSHRALDH1A1
SCHEMBL27619091 0.81 ALDH1A1 (0.46) GAAMGAMSIMGAM2TSHR
SCHEMBL824318 0.81 GAA (0.42) GAAMGAMSIMGAM2THRB
SCHEMBL13559183 0.79 GAA (0.41) GAAMGAMSIMGAM2THRB
SCHEMBL26002905 0.79 TSHR (0.32) THRBTSHR
SCHEMBL28077715 0.79 ALDH1A1 (0.41) GAATHRBTSHRALDH1A1
SCHEMBL5176405 0.79 ALDH1A1 (0.41) GAATHRBTSHRALDH1A1
SCHEMBL20629674 0.77 ALDH1A1 (0.39) GAATHRBTSHRALDH1A1
SCHEMBL10773330 0.77 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL347723 0.77 ALDH1A1 (0.42) GAATHRBTSHRALDH1A1

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-10946100-B2 Polymers including active agents MICROVENTION, INC. (US) 2021-03-16 US disclosed
US-20190151452-A1 Polymers Including Active Agents MICROVENTION, INC. 2019-05-23 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 (2 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-20190151452-A1 Polymers Including Active Agents MFAP1, VCL, ACTB GAA 1874/4885MGAM 426/4885SI 4188/4885
US-10946100-B2 Polymers including active agents MFAP1, VCL, ACTB GAA 1874/4885MGAM 426/4885SI 4188/4885

“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.