SCHEMBL4996451

SCHEMBL4996451

CCCCCCCCO[C@@H]1O[C@H](COC(=O)CCCCCCC)[C@@H](O)[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.72
▸ LGALS8 O00214 1/20 0.48
▸ LGALS3 P17931 1/20 0.48
▸ LGALS4 P56470 1/20 0.48
▸ TLR4 O00206 1/20 0.45
▸ VEGFA P15692 6/20 0.44
▸ BMP2 P12643 2/20 0.44
▸ CXCL12 P48061 2/20 0.44
▸ SHH Q15465 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SELP P16109 2/20 0.41
▸ B4GALT1 P15291 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IFNG P01579 1/20 0.40
▸ PF4 P02776 1/20 0.40

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
SCHEMBL14010294 1.00 MAPK1 (0.72) MAPK1LGALS8LGALS3LGALS4TLR4
SCHEMBL7148649 0.86 MAPK1 (0.77) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL11423444 0.86 MAPK1 (0.77) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL7148656 0.86 MAPK1 (0.77) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL4991663 0.85 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL4991659 0.85 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL4994061 0.85 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL14010283 0.85 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL4994069 0.85 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL14010258 0.85 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553101-B1 N-ACETYLGLUCOSAMINE DERIVATIVES AND USE THEREOF KAO CORP (JP) 2016-11-30 — — EP disclosed
US-20080293673-A1 N-ACETYGLUCOSAMINE DERIVATIVES AND USE THEREOF KAO CORPORATION 2008-11-27 — — US disclosed
US-7393937-B2 N-acetylglucosamine derivatives and use thereof KAO CORPORATION (JP) 2008-07-01 — — US disclosed
US-20060020127-A1 N-acetylglucosamine derivatives and use thereof KANEBO COSMETICS INC. (JP) 2006-01-26 — — US disclosed
EP-1553101-A1 N-ACETYLGLUCOSAMINE DERIVATIVES AND USE THEREOF Kanebo Cosmetics Inc. (JP) 2005-07-13 — — EP 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 (2 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-20060020127-A1 N-acetylglucosamine derivatives and use thereof FUT6, B3GNT2, FUT5 MAPK1 1512/4885LGALS8 173/4885LGALS3 208/4885
US-20080293673-A1 N-ACETYGLUCOSAMINE DERIVATIVES AND USE THEREOF B3GNT2, FUT6, FUT5 MAPK1 1506/4885LGALS8 178/4885LGALS3 246/4885

“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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