SCHEMBL19958459

SCHEMBL19958459

CCCCCC(=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 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.63
AKT1 P31749 1/20 0.49
GJB2 P29033 1/20 0.47
SELP P16109 1/20 0.46

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
SCHEMBL13449598 1.00 TLR4 (0.63) TLR4AKT1GJB2SELP
SCHEMBL12837376 1.00 TLR4 (0.63) TLR4AKT1GJB2SELP
SCHEMBL13449597 0.95 TLR4 (0.69) TLR4AKT1SELP
SCHEMBL12837127 0.95 TLR4 (0.69) TLR4AKT1SELP
SCHEMBL29406083 0.93 TLR4 (0.71) TLR4AKT1SELP
SCHEMBL29381517 0.93 TLR4 (0.71) TLR4AKT1SELP
SCHEMBL31727702 0.93 TLR4 (0.71) TLR4AKT1SELP
SCHEMBL13466917 0.93 TLR4 (0.67) TLR4AKT1SELP
SCHEMBL13449590 0.93 TLR4 (0.67) TLR4AKT1SELP
Trehalose SCHEMBL7990885 0.89 TLR4 (0.53) TLR4AKT1GJB2

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 2106/4885AKT1 3356/4885GJB2 4028/4885
US-20180072767-A1 TREHALOSE ANALOGUES TREH, TALDO1, GALE TLR4 2106/4885AKT1 3356/4885GJB2 4028/4885

“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.