SCHEMBL6139575

SCHEMBL6139575

O=C[C@H](OOCc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CA1 P00915 3/20 0.33
TSHR P16473 2/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL9264624 1.00 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL6216660 0.96 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL16059792 0.85 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27671067 0.85 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL10351575 0.85 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL3007008 0.85 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL9095023 0.85 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4601140 0.81 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL5271501 0.81 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1560449 0.81 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908989-B2 Process for the production of perbenzylated 1-O-glycosides SCHERING AG (DE) 2005-06-21 US disclosed
US-20050074409-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 US disclosed
US-6831164-B2 Generation of peracylated 1-O-glycosides; obtain chemical intermediate, react with alkylating agent, heat and recover product SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-14 US disclosed
US-6818203-B2 COMPLEXES HAVE CRITICAL MICELLE FORMATION CONCENTRATION, HYDRODYNAMIC MICELLE DIAMETER, AND PROTON RELAXIVITY IN PLASMA CONTRAST MEDIA IN MR IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-16 US disclosed
US-6641797-B2 As contrast media for the visualization of malignant tumors, lymph nodes and necrotic tissue SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-04 US disclosed
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-17 US disclosed
US-20030069402-A1 Process for the production of peracylated 1-0-glycosides SCHERING AG (DE) 2003-04-10 US disclosed
US-6545135-B2 Alkylation SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-08 US disclosed
US-20030055242-A1 Process for the production of perbenzylated 1-O-glycosides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
US-20020076379-A1 Perfluoroalkyl-containing complexes with sugar radicals, process for their production and their use SCHERING AG (DE) 2002-06-20 US disclosed
US-20020002274-A1 Process for the production of perbenzylated 1-0-glycosides SCHERING AKTIENGESELLSCHAFT 2002-01-03 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 (6 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-20020076379-A1 Perfluoroalkyl-containing complexes with sugar radicals, process for their production and their use FGB, MSR1, FFAR1 SLC1A3 2673/4885SLC1A2 3357/4885SLC1A1 2364/4885
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, PTDSS1 SLC1A3 2512/4885SLC1A2 3422/4885SLC1A1 2529/4885
US-20030055242-A1 Process for the production of perbenzylated 1-O-glycosides MAN1B1, STT3B, OSTC SLC1A3 3529/4885SLC1A2 4064/4885SLC1A1 3391/4885
US-20030069402-A1 Process for the production of peracylated 1-0-glycosides B3GNT2, UGT8, UGGT1 SLC1A3 2573/4885SLC1A2 2688/4885SLC1A1 2279/4885
US-20050074409-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, MALT1 SLC1A3 2410/4885SLC1A2 3659/4885SLC1A1 2611/4885
US-20020002274-A1 Process for the production of perbenzylated 1-0-glycosides STT3B, MAN1B1, OSTC SLC1A3 3431/4885SLC1A2 3834/4885SLC1A1 3266/4885

“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.