SCHEMBL15928792

SCHEMBL15928792

CCCC(=O)OCC1O[C@@H](OC(=O)CCC)C(NC(=O)CCC(C)=O)C(OC(=O)CCC)[C@@H]1OC(=O)CCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 10/20 0.52
LY96 Q9Y6Y9 6/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.37
TGM2 P21980 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL17689315 1.00 TLR4 (0.52) TLR4LY96LMNAKMT2AMAPT
SCHEMBL2336007 1.00 TLR4 (0.52) TLR4LY96LMNAKMT2AMAPT
SCHEMBL12391273 1.00 TLR4 (0.52) TLR4LY96LMNAKMT2AMAPT
SCHEMBL21138007 0.93 TLR4 (0.55) TLR4LY96LMNAKMT2AMAPT
SCHEMBL12391272 0.90 TLR4 (0.54) TLR4LY96LMNAKMT2ATGM2
SCHEMBL12391271 0.88 TLR4 (0.65) TLR4LY96LMNAKMT2A
SCHEMBL17793805 0.88 TLR4 (0.65) TLR4LY96LMNAKMT2A
SCHEMBL2338181 0.88 TLR4 (0.65) TLR4LY96LMNAKMT2A
SCHEMBL3336078 0.88 LMNA (0.54) TLR4LY96LMNAKMT2AMAPT
SCHEMBL3336077 0.88 LMNA (0.54) TLR4LY96LMNAKMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-07 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-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN TLR4 704/4885LY96 4540/4885LMNA 1218/4885

“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.