SCHEMBL21171971

SCHEMBL21171971

O=C(CCCP(=O)(O)O)Cc1cc(=O)oc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ LCK P06239 2/20 0.41
▸ AKR1B1 P15121 2/20 0.41
▸ FYN P06241 1/20 0.41
▸ GRB2 P62993 1/20 0.41
▸ NQO1 P15559 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B3 P37058 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MCL1 Q07820 1/20 0.37

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
SCHEMBL24487069 0.84 KCNA3 (0.40) CA12CA1CA9LCKAKR1B1
SCHEMBL21533687 0.82 BCHE (0.49) CA12CA1CA9LCKALDH1A1
SCHEMBL24487071 0.82 KDM4E (0.44) CA12CA1CA9LCKAKR1B1
SCHEMBL21172139 0.82 CA12 (0.46) CA12CA1CA9NQO1CYP19A1
SCHEMBL21171753 0.81 CA12 (0.41) CA12CA1CA9LCKAKR1B1
SCHEMBL17844914 0.80 CA12 (0.47) CA12CA1CA9LCKAKR1B1
SCHEMBL21171731 0.78 HSD17B3 (0.43) CA12CA1CA9NQO1CYP19A1
SCHEMBL21171977 0.78 ALDH1A1 (0.45) CA12CA1CA9NQO1CYP19A1
SCHEMBL21533703 0.77 CA12 (0.44) CA12CA1CA9LCKAKR1B1
SCHEMBL21533755 0.76 KMT2A (0.41) CA12CA1CA9CYP19A1ALDH1A1

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
US-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — 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
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 (2 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 CA12 1131/4885CA1 3311/4885CA9 2835/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT CA12 1131/4885CA1 3311/4885CA9 2835/4885

“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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