SCHEMBL16160412

SCHEMBL16160412

CCCCCC/C=C\CCCCCCCC(=O)NC1[C@H](O[C@H]2C(CO)O[C@H](OC3C(CO)O[C@@H](O[C@H]4C(CO)O[C@H](OC)[C@H](C)C4O)C(N)[C@H]3O)[C@H](C)C2O)OC(CO)C(O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.49
▸ GJB2 P29033 1/20 0.44
▸ SELP P16109 4/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ LY96 Q9Y6Y9 6/20 0.40
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL16160411 1.00 TLR4 (0.49) TLR4GJB2SELPMAPK1LY96
SCHEMBL2741377 0.90 MAPK1 (0.50) TLR4SELPMAPK1LY96
SCHEMBL2741376 0.90 MAPK1 (0.50) TLR4SELPMAPK1LY96
SCHEMBL16509347 0.88 TLR4 (0.53) TLR4GJB2SELPMAPK1LY96
SCHEMBL2791012 0.85 MAPK1 (0.54) TLR4MAPK1LY96
SCHEMBL10064893 0.85 MAPK1 (0.54) TLR4MAPK1LY96
SCHEMBL17208311 0.84 TLR4 (0.57) TLR4SELPMAPK1LY96CNR1
SCHEMBL16509348 0.83 MAPK1 (0.49) TLR4GJB2MAPK1LY96
SCHEMBL17355650 0.83 TLR4 (0.45) TLR4SELPMAPK1
SCHEMBL16509346 0.82 TLR4 (0.46) TLR4GJB2SELPMAPK1LY96

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-9090644-B2 Processes for chemical synthesis of lipochitooligosaccharides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 — — US disclosed
US-20140303361-A1 PROCESSES FOR CHEMICAL SYNTHESIS OF LIPOCHITOOLIGOSACCHARIDES DU PONT (US) 2014-10-09 — — 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-20140303361-A1 PROCESSES FOR CHEMICAL SYNTHESIS OF LIPOCHITOOLIGOSACCHARIDES PGLS, ALG1, DDOST TLR4 855/4885GJB2 4845/4885SELP 2121/4885

“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.

Send feedback