SCHEMBL17880480

SCHEMBL17880480

CCC(CC)C(=O)OCC1OC(OC(=O)C(CC)CC)C(O)C(O)C1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ PRKCG P05129 1/20 0.45
▸ PRKCB P05771 1/20 0.45
▸ PRKCA P17252 1/20 0.45
▸ PRKCH P24723 1/20 0.45
▸ PRKCI P41743 1/20 0.45
▸ PRKCE Q02156 1/20 0.45
▸ PRKCQ Q04759 1/20 0.45
▸ PRKCZ Q05513 1/20 0.45
▸ PRKCD Q05655 1/20 0.45
▸ PRKD1 Q15139 1/20 0.45
▸ XDH P47989 1/20 0.37
▸ SLC5A1 P13866 2/20 0.34
▸ SLC5A2 P31639 2/20 0.34
▸ IGF2R P11717 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL20725164 0.81 TLR4 (0.39) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL17867745 0.78 LGALS8 (0.33) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL17866072 0.77 ALDH1A1 (0.41) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL16155658 0.75 ALDH1A1 (0.33) TLR4ALDH1A1
SCHEMBL17867763 0.75 ALDH1A1 (0.33) TLR4ALDH1A1
SCHEMBL14667225 0.75 L3MBTL1 (0.42) TLR4ALDH1A1THRBGAA
SCHEMBL14667222 0.75 L3MBTL1 (0.42) TLR4ALDH1A1THRBGAA
SCHEMBL16561877 0.74 CYP2D6 (0.49) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL17683644 0.74 CYP2D6 (0.49) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL17695748 0.74 CYP2D6 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY UNIV TEXAS (US) 2022-01-27 — — US disclosed
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 — — US disclosed
US-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 — — 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-20160184336-A1 ESTERS OF 2-DEOXY-MONOSACHARIDES WITH ANTI PROLIFERATIVE ACTIVITY DERA, G6PD, HK2 TLR4 3721/4885PRKD3 1925/4885PRKCG 2392/4885
US-20220023326-A1 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY SLC2A2, SLC2A1, SLC2A4 TLR4 3754/4885PRKD3 1796/4885PRKCG 2467/4885

“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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