SCHEMBL16745289

SCHEMBL16745289

[2H][C@@]1(O[C@@H]2C(NC(C)=O)[C@]([2H])(C)OC(CO)[C@H]2O)OC[C@@H](OC)[C@H](O)C1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ CD69 Q07108 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PYGB P11216 1/20 0.36
▸ LGALS3 P17931 6/20 0.35
▸ LGALS8 O00214 3/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ LGALS9 O00182 1/20 0.34

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
SCHEMBL12236900 0.82 CD69 (0.44) MAPK1CD69ALDH1A1THRBPYGB
SCHEMBL17131368 0.82 CD69 (0.44) MAPK1CD69ALDH1A1THRBPYGB
SCHEMBL14925198 0.82 CD69 (0.44) MAPK1CD69ALDH1A1THRBPYGB
SCHEMBL18022304 0.81 CD69 (0.47) MAPK1CD69ALDH1A1THRBLGALS3
SCHEMBL17932990 0.79 MAPK1 (0.43) MAPK1CD69ALDH1A1THRBPYGB
SCHEMBL16745291 0.78 MAPK1 (0.43) MAPK1CD69ALDH1A1THRBPYGB
SCHEMBL17932983 0.71 MAPK1 (0.38) MAPK1CD69ALDH1A1THRBPYGB
SCHEMBL23603141 0.70 MAPK1 (0.52) MAPK1CD69ALDH1A1THRBPYGB
SCHEMBL21077729 0.70 MAPK1 (0.52) MAPK1CD69ALDH1A1THRBPYGB
SCHEMBL13864090 0.70 MAPK1 (0.52) MAPK1CD69ALDH1A1THRBPYGB

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-20160206544-A1 DEUTERIUM-ENRICHED HYALURONAN DEUTERIA BIOMATERIALS, LLC 2016-07-21 — — US disclosed
US-9187576-B2 Deuterium-enriched hyaluronan DEUTERIA BIOMATERIALS, LLC (US) 2015-11-17 — — US disclosed
US-20150148310-A1 DEUTERIUM-ENRICHED HYALURONAN DEUTERIA BIOMATERIALS, LLC 2015-05-28 — — 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-20160206544-A1 DEUTERIUM-ENRICHED HYALURONAN DOHH, CD44, HDHD5 MAPK1 4228/4885CD69 532/4885ALDH1A1 721/4885

“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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