SCHEMBL2741376

SCHEMBL2741376

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ TLR4 O00206 7/20 0.49
▸ LGALS3 P17931 5/20 0.46
▸ LGALS8 O00214 1/20 0.46
▸ LGALS4 P56470 1/20 0.46
▸ CHIA Q9BZP6 1/20 0.44
▸ LGALS1 P09382 1/20 0.43
▸ LGALS7; LGALS7B P47929 1/20 0.43
▸ LGALS9 O00182 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ SELP P16109 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ LY96 Q9Y6Y9 2/20 0.41

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
SCHEMBL2741377 1.00 MAPK1 (0.50) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL2791012 0.96 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL10064893 0.96 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL17355650 0.93 TLR4 (0.45) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16433507 0.90 MAPK1 (0.53) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16800368 0.90 MAPK1 (0.53) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL22098578 0.90 MAPK1 (0.53) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL19225396 0.90 MAPK1 (0.55) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16160411 0.90 TLR4 (0.49) MAPK1TLR4SELPLY96
SCHEMBL16160412 0.90 TLR4 (0.49) MAPK1TLR4SELPLY96

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 3 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
US-20120004401-A1 COMPOSITIONS COMPRISING LIPOCHITOOLIGOSACCHARIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-05 — — 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 MAPK1 2558/4885TLR4 855/4885LGALS3 739/4885

“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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