SCHEMBL19958444

SCHEMBL19958444

C#CCC(=O)OCC1O[C@H](O[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.48
▸ 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
▸ PTPN1 P18031 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ IGF2R P11717 1/20 0.39

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
SCHEMBL19962807 0.88 TLR4 (0.46) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19961989 0.88 TLR4 (0.46) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19958463 0.88 TLR4 (0.46) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19961991 0.85 TLR4 (0.46) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19958460 0.85 TLR4 (0.46) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19962537 0.85 TLR4 (0.46) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19961853 0.84 TLR4 (0.47) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19961851 0.84 TLR4 (0.47) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19958448 0.84 TLR4 (0.47) TLR4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19958457 0.83 TLR4 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133705-A1 TREHALOSE ANALOGUES CENTRAL MICHIGAN UNIVERSITY 2023-05-04 — — US disclosed
US-20180072767-A1 TREHALOSE ANALOGUES NATIONAL SCIENCE FOUNDATION 2018-03-15 — — 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-20230133705-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE TLR4 2106/4885PRKD3 3677/4885PRKCG 4097/4885
US-20180072767-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE TLR4 2106/4885PRKD3 3677/4885PRKCG 4097/4885

“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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