SCHEMBL15978374

SCHEMBL15978374

C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(C=O)c(C=O)c1O2

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 3/20 0.76
▸ ST3GAL1 Q11201 2/20 0.76
▸ ST3GAL3 Q11203 2/20 0.76
▸ FUT6 P51993 1/20 0.76
▸ FUT5 Q11128 1/20 0.76
▸ PTPN1 P18031 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ OSBP P22059 1/20 0.31

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
SCHEMBL29351854 0.88 ST6GAL1 (0.61) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29711449 0.86 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL16406505 0.66 ST6GAL1 (0.51) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL30753545 0.61 ST6GAL1 (0.66) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8143360 0.58 ST6GAL1 (0.42) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL16408426 0.56 ST6GAL1 (0.41) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL16406480 0.56 ALOX5 (0.44) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL30075081 0.56 ALOX5 (0.44) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL16406482 0.56 ST6GAL1 (0.41) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL18789464 0.52 ALOX15 (0.41) ST6GAL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 — — US disclosed
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 — — 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM ST6GAL1 2019/4885ST3GAL1 3686/4885ST3GAL3 4277/4885

“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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