SCHEMBL16078202

SCHEMBL16078202

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.47
▸ PRKCA P17252 3/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 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
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ IGF2R P11717 4/20 0.35
▸ TSHR P16473 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL16081494 0.93 TLR4 (0.43) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL2964015 0.88 PRKCA (0.42) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL29564847 0.88 PRKCA (0.42) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL2964018 0.88 PRKCA (0.42) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL8014983 0.85 TLR4 (0.41) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL8013796 0.85 TLR4 (0.41) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL24621714 0.83 SLC2A1 (0.38) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL13214827 0.83 SLC2A1 (0.38) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL10233847 0.83 SLC2A1 (0.38) TLR4PRKCAPRKD3PRKCGPRKCB
SCHEMBL19779374 0.83 FBP1 (0.38) TLR4PRKCAPRKD3PRKCGPRKCB

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-20180015167-A1 CROSSLINKABLE TREHALOSE FOR THE COVALENT INCORPORATION IN HYDROGELS AND METHODS OF USE MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2018-01-18 — — US disclosed
US-20140271601-A1 CROSSLINKABLE TREHALOSE FOR THE COVALENT INCORPORATION IN HYDROGELS AND METHODS OF USE INVIVO THERAPEUTICS CORPORATION (US) 2014-09-18 — — 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-20180015167-A1 CROSSLINKABLE TREHALOSE FOR THE COVALENT INCORPORATION IN HYDROGELS AND METHODS OF USE TREH, TBCA, BMP2 TLR4 3108/4885PRKCA 1828/4885PRKD3 1822/4885
US-20140271601-A1 CROSSLINKABLE TREHALOSE FOR THE COVALENT INCORPORATION IN HYDROGELS AND METHODS OF USE TREH, TBCA, BMP2 TLR4 3108/4885PRKCA 1828/4885PRKD3 1822/4885

“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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