SCHEMBL22452302

SCHEMBL22452302

C=C(C)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CCO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.44
▸ PRKD3 O94806 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ PRKCH P24723 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ PRKD1 Q15139 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ IGF2R P11717 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC28A3 Q9HAS3 1/20 0.33
▸ MAPT P10636 2/20 0.33

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
SCHEMBL22452303 0.89 TLR4 (0.45) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL17091718 0.82 ALDH1A1 (0.45) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL17728077 0.79 ALDH1A1 (0.47) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL30230266 0.79 THRB (0.42) TLR4L3MBTL1SLC28A3MAPTPTPN1
SCHEMBL29227592 0.79 THRB (0.42) TLR4L3MBTL1SLC28A3MAPTPTPN1
SCHEMBL15844520 0.78 MEN1 (0.42) IGF2RKDM4EPOLBSMN1; SMN2L3MBTL1
SCHEMBL4277916 0.78 MEN1 (0.42) IGF2RKDM4EPOLBSMN1; SMN2L3MBTL1
SCHEMBL16198604 0.77 ALDH1A1 (0.49) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL13446415 0.77 ALDH1A1 (0.49) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL10233898 0.77 ALDH1A1 (0.49) TLR4PRKD3PRKCGPRKCBPRKCA

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-20200297866-A1 Stabilization of Glucagon by Trehalose Glycopolymer Nanogels NATIONAL SCIENCE FOUNDATION 2020-09-24 — — 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-20200297866-A1 Stabilization of Glucagon by Trehalose Glycopolymer Nanogels IAPP, GCG, UGCG TLR4 3425/4885PRKD3 2829/4885PRKCG 3168/4885

“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.

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