SCHEMBL21172142

SCHEMBL21172142

O=C(NCCOP(=O)(O)O)OCc1cc2ccccc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
ADAM17 P78536 1/20 0.47
MAOB P27338 6/20 0.47
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL24486795 0.89 MMP2 (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171973 0.88 KDM4E (0.47) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171958 0.85 MMP2 (0.47) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171806 0.83 KDM4E (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171797 0.83 MMP2 (0.50) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21533672 0.80 MAOB (0.48) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21533688 0.80 KMT2A (0.45) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL21171768 0.80 MMP2 (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL24486796 0.80 MMP2 (0.48) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL24486985 0.79 MMP2 (0.43) KDM4EHSD17B10ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2022-12-29 US disclosed
US-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 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-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KDM4E 3466/4885HSD17B10 2541/4885ALDH1A1 264/4885

“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.