SCHEMBL1964688

SCHEMBL1964688

COc1ccc(CO[C@@H]2[C@@H](OCc3ccc(OC)cc3)[C@@H](O)O[C@@H]3COC(C)(C)O[C@H]23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MMP1 P03956 2/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ GJB2 P29033 1/20 0.34
▸ GJA1 P17302 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ AGXT P21549 1/20 0.32
▸ SLC5A1 P13866 1/20 0.32
▸ SLC5A2 P31639 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16404640 0.89 KMT2A (0.36) KMT2AMEN1L3MBTL1MMP1MMP3
SCHEMBL15481393 0.81 L3MBTL1 (0.39) KMT2AMEN1L3MBTL1GJB2GJA1
SCHEMBL16560364 0.81 MEN1 (0.34) KMT2AMEN1L3MBTL1GJB2GJA1
SCHEMBL15279226 0.80 SLC5A2 (0.32) KMT2AMEN1SLC5A2ALDH1A1
SCHEMBL10892517 0.79 CA1 (0.50) KMT2AMEN1L3MBTL1MMP1MMP3
SCHEMBL402934 0.78 TACR1 (0.38) KMT2AMEN1L3MBTL1KDM4EMAPT
SCHEMBL9185521 0.77 KMT2A (0.41) KMT2AMEN1MMP1MMP3MMP9
SCHEMBL25845030 0.76 CA1 (0.34) KMT2AMEN1L3MBTL1MMP1MMP3
SCHEMBL15481395 0.76 L3MBTL1 (0.39) L3MBTL1ALDH1A1
SCHEMBL1966486 0.75 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336144-B1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE RIKEN (JP) 2015-01-21 — — EP disclosed
US-8580751-B2 Esterified α-galactosylceramide RIKEN (JP) 2013-11-12 — — US disclosed
US-20110224158-A1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE RIKEN (JP) 2011-09-15 — — US disclosed
EP-2336144-A1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE Riken (JP) 2011-06-22 — — 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 (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-20110224158-A1 ESTERIFIED ALPHA-GALACTOSYLCERAMIDE GBA1, UGCG, MAN2B1 KMT2A 1251/4885MEN1 831/4885L3MBTL1 1058/4885

“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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