SCHEMBL12580633

SCHEMBL12580633

CCC(C)O[C@@H]1C(C(=O)O)O[C@@H](OC2C(NC(C)=O)[C@H](C(C)(CC)CC)OC(CO)[C@H]2O)C(O)C1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ MAPK1 P28482 2/20 0.44
▸ LGALS3 P17931 5/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MDK P21741 2/20 0.37
▸ PTN P21246 1/20 0.37
▸ BDNF P23560 1/20 0.37
▸ CD69 Q07108 1/20 0.36
▸ CHIA Q9BZP6 1/20 0.35
▸ FGF1 P05230 1/20 0.35
▸ LGALS1 P09382 1/20 0.34
▸ LGALS7; LGALS7B P47929 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ MAG P20916 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
SCHEMBL23343407 0.94 ALDH1A1 (0.48) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL21316642 0.88 LGALS3 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL20122304 0.88 LGALS3 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL22472735 0.88 LGALS3 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL16269841 0.88 LGALS3 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL19325099 0.88 LGALS3 (0.43) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL18936352 0.88 LGALS3 (0.43) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL20290392 0.87 LGALS3 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL18737220 0.86 LGALS3 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL25964185 0.85 MAPK1 (0.45) ALDH1A1THRBMAPK1LGALS3LGALS8

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-20110144030-A1 CONJUGATE OF HYALURONIC ACID FOR COSMETIC TREATMENT AND PREPARATION METHOD RAMIS CASTELLTORT MARC 2011-06-16 — — 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-20110144030-A1 CONJUGATE OF HYALURONIC ACID FOR COSMETIC TREATMENT AND PREPARATION METHOD CD44, CUTA, MUC1 ALDH1A1 44/4885THRB 3998/4885MAPK1 2920/4885

“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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