SCHEMBL19225396

SCHEMBL19225396

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1[C@H](O[C@H]2C(O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4C(O)[C@@H](NC(C)=O)[C@H](CO)O[C@H]4CO)O[C@@H]3CO)O[C@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.55
▸ TLR4 O00206 9/20 0.54
▸ LGALS8 O00214 1/20 0.50
▸ LGALS3 P17931 1/20 0.50
▸ LGALS4 P56470 1/20 0.50
▸ CHIA Q9BZP6 1/20 0.47
▸ CD69 Q07108 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ LY96 Q9Y6Y9 5/20 0.44
▸ SELP P16109 1/20 0.43
▸ GJB2 P29033 1/20 0.42

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
SCHEMBL16623992 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL2791012 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL18024461 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL10064893 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL16502193 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL16433864 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL16623686 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL20685510 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL22006236 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4
SCHEMBL25924370 0.94 MAPK1 (0.54) MAPK1TLR4LGALS8LGALS3LGALS4

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-20170223956-A1 LIPO-CHITOOLIGOSACCHARIDE COMPOSITIONS FOR ENHANCING PLANT GROWTH NOVOZYMES BIOAG A/S (DK) 2017-08-10 — — 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-20170223956-A1 LIPO-CHITOOLIGOSACCHARIDE COMPOSITIONS FOR ENHANCING PLANT GROWTH CHIT1, LPO, DDOST MAPK1 4270/4885TLR4 911/4885LGALS8 309/4885

“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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