SCHEMBL1647661

SCHEMBL1647661

CN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.58
▸ GAA P10253 1/20 0.58
▸ CA12 O43570 3/20 0.55
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ TSHR P16473 1/20 0.47
▸ LGALS1 P09382 2/20 0.47
▸ LGALS3 P17931 2/20 0.47
▸ LGALS9 O00182 1/20 0.47
▸ LGALS8 O00214 1/20 0.47
▸ SLC5A2 P31639 1/20 0.44

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
SCHEMBL1647658 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL18722237 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL19538490 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL14707760 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL3228008 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL12038703 1.00 PYGB (0.58) PYGBGAACA12CA1CA2
SCHEMBL9650344 0.98 PYGB (0.55) PYGBGAACA12CA1CA2
SCHEMBL8059606 0.98 PYGB (0.55) PYGBGAACA12CA1CA2
SCHEMBL23430833 0.82 LGALS8 (0.53) PYGBCA12CA1CA2CA9
SCHEMBL21894588 0.82 LGALS8 (0.53) PYGBCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306195-A2 Biological applications of semiconductor nanocrystals Massachusetts Institute of Technology (US) 2011-04-06 — — EP disclosed
US-7521430-B2 N-glucoside compounds having an inhibitory activity against sodium-dependent glucose transporter MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-21 — — US disclosed
US-20070060545-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 — — US disclosed
EP-1116036-B1 WATER-SOLUBLE FLUORESCENT SEMICONDUCTOR NANOCRYSTALS MASSACHUSETTS INST TECHNOLOGY (US) 2004-08-11 — — EP disclosed
US-6602671-B1 Semiconductor nanocrystals for inventory control MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-08-05 — — US disclosed
EP-0990903-B1 Biological applications of semiconductor nanocrystals MASSACHUSETTS INST TECHNOLOGY (US) 2003-03-12 — — EP disclosed
EP-1271154-A2 Biological applications of semiconductor nanocrystals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-01-02 — — EP disclosed
WO-2000017103-A9 INVENTORY CONTROL MASSACHUSETTS INST TECHNOLOGY (US) 2001-12-20 — — WO disclosed
EP-0775117-B1 FLUORINATED 2-NITROIMIDAZOLE ANALOGS FOR DETECTING HYPOXIC TUMOR CELLS STANFORD RES INST INT (US) 2001-11-21 — — EP disclosed
US-6319426-B1 NANOCRYSTAL CORE HAVING A SELECTED BAND GAP ENERGY; SHELL OF A SEMICONDUCTOR MATERIAL HAVING A BAND GAP ENERGY GREATER THAN THAT OF THE CORE; OUTER LAYER MOLECULE HAVING AT LEAST TWO LINKING GROUPS AND AT LEAST ONE HYDROPHILIC GROUP MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-11-20 — — US disclosed
WO-2000017655-A9 WATER-SOLUBLE FLUORESCENT SEMICONDUCTOR NANOCRYSTALS MASSACHUSETTS INST TECHNOLOGY (US) 2001-10-04 — — WO disclosed
EP-1116036-A1 WATER-SOLUBLE FLUORESCENT SEMICONDUCTOR NANOCRYSTALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-07-18 — — EP disclosed
EP-1113986-A2 INVENTORY CONTROL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-07-11 — — EP disclosed
EP-0990903-A1 Biological applications of semiconductor nanocrystals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-04-05 — — EP disclosed
WO-2000017655-A1 WATER-SOLUBLE FLUORESCENT SEMICONDUCTOR NANOCRYSTALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-03-30 — — WO disclosed
WO-2000017103-A2 INVENTORY CONTROL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-03-30 — — WO disclosed
US-5721265-A FOR MAGNETIC RESONANCE IMAGING SRI INTERNATIONAL (US) 1998-02-24 — — US disclosed
EP-0775117-A1 FLUORINATED 2-NITROIMIDAZOLE ANALOGS FOR DETECTING HYPOXIC TUMOR CELLS SRI INTERNATIONAL (US) 1997-05-28 — — EP disclosed
WO-1996004249-A9 FLUORINATED 2-NITROIMIDAZOLE ANALOGS FOR DETECTING HYPOXIC TUMOR CELLS — 1996-03-21 — — WO disclosed
WO-1996004249-A1 FLUORINATED 2-NITROIMIDAZOLE ANALOGS FOR DETECTING HYPOXIC TUMOR CELLS SRI INTERNATIONAL (US) 1996-02-15 — — 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-20070060545-A1 Novel compounds CYP1B1, CYP2B6, CYP4B1 PYGB 4771/4885GAA 3192/4885CA12 1387/4885

“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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