SCHEMBL21533755

SCHEMBL21533755

O=C(OCCCP(=O)(O)O)OCc1cc(=O)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ HSD17B3 P37058 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ USP2 O75604 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KCNA3 P22001 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ESR1 P03372 1/20 0.39

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
SCHEMBL9958831 0.85 CA12 (0.51) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL24487071 0.85 KDM4E (0.44) KMT2AMEN1TDP1HSD17B3ALDH1A1
SCHEMBL24487061 0.85 KMT2A (0.42) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL21171759 0.80 MMP2 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL21533690 0.79 KMT2A (0.42) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL21533686 0.79 ALDH1A1 (0.48) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL24820151 0.78 NPC1 (0.42) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL21172139 0.78 CA12 (0.46) NPC1RAB9AHSD17B3ALDH1A1HPGD
SCHEMBL14329543 0.78 HSD17B3 (0.51) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL21533705 0.77 CDYL (0.46) KMT2AMEN1TDP1NPC1RAB9A

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-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 — — US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 — — 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 (3 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-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KMT2A 2258/4885MEN1 3289/4885TDP1 4602/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT KMT2A 2258/4885MEN1 3289/4885TDP1 4602/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT KMT2A 2258/4885MEN1 3289/4885TDP1 4602/4885

“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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