SCHEMBL16146137

SCHEMBL16146137

CC1(C)OC[C@H]2O[C@@H](O)[C@H](NC(=O)OCc3ccccc3)[C@@H](O)[C@@H]2O1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CPB1 P15086 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ CAPN1 P07384 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL15012280 0.89 L3MBTL1 (0.46) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL16145800 0.86 ALDH1A1 (0.38) ALDH1A1GAATSHRCPB1KMT2A
SCHEMBL5308210 0.80 L3MBTL1 (0.54) ALDH1A1KMT2A
SCHEMBL1836110 0.80 L3MBTL1 (0.54) ALDH1A1KMT2A
SCHEMBL8822994 0.80 L3MBTL1 (0.50) KMT2A
SCHEMBL11269209 0.79 L3MBTL1 (0.44) KMT2ACTSLCA1
SCHEMBL9625028 0.79 ALDH1A1 (0.37) ALDH1A1KMT2ACA1CA2
SCHEMBL8579544 0.78 TLR4 (0.35) KMT2A
SCHEMBL14709165 0.77 ALDH1A1 (0.44) ALDH1A1GAATSHRCPB1CTSL
SCHEMBL8581377 0.77 KMT2A (0.33) ALDH1A1KMT2A

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-20140303363-A1 Preparation and Use of Isolactosamine and Intermediates therefor GLYCOM A/S (DK) 2014-10-09 — — 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-20140303363-A1 Preparation and Use of Isolactosamine and Intermediates therefor GALE, B4GALT1, GNE ALDH1A1 889/4885GAA 382/4885TSHR 4278/4885

“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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