SCHEMBL582951

SCHEMBL582951

C[C@@H]1O[C@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GSTP1 P09211 2/20 0.30

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
SCHEMBL583131 0.93 TACR1 (0.34) MEN1KMT2A
SCHEMBL7458038 0.91 TACR1 (0.36) MEN1KMT2A
SCHEMBL4274371 0.90 GSTP1 (0.40) PDPK1MTORGSTP1
SCHEMBL13657214 0.90 GSTP1 (0.40) PDPK1MTORGSTP1
SCHEMBL1521120 0.86 MEN1 (0.32) MEN1KMT2APDPK1MTORMAPT
SCHEMBL1521133 0.86 MEN1 (0.32) MEN1KMT2APDPK1MTORMAPT
SCHEMBL13129875 0.83 PDPK1 (0.37) MEN1KMT2APDPK1MTORMAPT
SCHEMBL13129819 0.83 PDPK1 (0.37) MEN1KMT2APDPK1MTORMAPT
SCHEMBL5691292 0.81 L3MBTL1 (0.35) PDPK1MTORMAPTCYP2C19
SCHEMBL584139 0.81 PDPK1 (0.40) PDPK1MTORMAPTCYP2C19

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-2417144-B1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE GLYCOM AS (DK) 2017-08-23 EP disclosed
US-8927698-B2 Method for the synthesis of a trisaccharide GLYCOM A/S (DK) 2015-01-06 US disclosed
US-20120116065-A1 NOVEL METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE GLYCOM A/S (DK) 2012-05-10 US disclosed
EP-2417144-A1 SYNTHESIS OF 2 ' -O-FUCOSYLLACTOSE Glycom A/S (DK) 2012-02-15 EP disclosed
WO-2010115935-A1 SYNTHESIS OF 2 ' -O-FUCOSYLLACTOSE GLYCOM A/S (DK) 2010-10-14 WO 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-20120116065-A1 NOVEL METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE FUT6, FUT5, GALE MEN1 1097/4885KMT2A 3891/4885PDPK1 2829/4885

“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.