SCHEMBL5082387

SCHEMBL5082387

CCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.50
PRKCA P17252 5/20 0.49
AKT1 P31749 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL1705332 1.00 TLR4 (0.50) TLR4PRKCAAKT1MAPK1
SCHEMBL2198649 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1
SCHEMBL2297828 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1
SCHEMBL4856848 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1
SCHEMBL6290144 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1
SCHEMBL3875391 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1
SCHEMBL5425896 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1
SCHEMBL8145211 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1
SCHEMBL10325897 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1
SCHEMBL8144862 0.99 TLR4 (0.52) TLR4PRKCAAKT1MAPK1

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
WO-2008102372-A1 A COMPOSITION DERIVED FROM FENUGREEK FOR IMPROVING PHYSIOLOGY INDUS BIOTECH PRIVATE LIMITED (IN) 2008-08-28 WO disclosed
US-20080199517-A1 Composition and a process thereof INDUS BIOTECH PRIVATE LTD (IN) 2008-08-21 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-20080199517-A1 Composition and a process thereof GYS1, SHBG, PYGM TLR4 638/4885PRKCA 372/4885AKT1 995/4885

“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.