SCHEMBL22928073

SCHEMBL22928073

CC(=O)OC[C@H]1O[C@H](c2nccc3ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PTPN1 P18031 1/20 0.50
▸ PRKCA P17252 2/20 0.46
▸ AKT1 P31749 2/20 0.46
▸ PTK2 Q05397 2/20 0.46
▸ TGM2 P21980 1/20 0.44
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA4 P22748 3/20 0.43
▸ CA5A P35218 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA5B Q9Y2D0 3/20 0.43
▸ KMT2A Q03164 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
SCHEMBL22928067 0.78 TSHR (0.67) TSHRKDM4EALDH1A1HPGDLMNA
SCHEMBL12762931 0.76 TSHR (1.00) TSHRLMNAPTPN1CA12CA1
SCHEMBL4965943 0.76 TSHR (0.55) TSHRKDM4EALDH1A1HPGDLMNA
SCHEMBL22928045 0.76 TSHR (0.60) TSHRKDM4EALDH1A1HPGDLMNA
SCHEMBL4969253 0.75 TSHR (0.54) TSHRKDM4EALDH1A1HPGDLMNA
SCHEMBL22927998 0.73 TSHR (0.57) TSHRKDM4EALDH1A1HPGDLMNA
SCHEMBL22928058 0.73 TSHR (0.57) TSHRKDM4EALDH1A1HPGDLMNA
SCHEMBL22928054 0.73 TSHR (0.57) TSHRKDM4EALDH1A1HPGDLMNA
SCHEMBL10693255 0.73 TSHR (0.59) TSHRKDM4EALDH1A1HPGDLMNA
SCHEMBL4371658 0.73 TSHR (0.70) TSHRPTPN1CA12CA1CA2

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-20220127239-A1 GLYCOSYL DONOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN UNIVERSITY (CN) 2022-04-28 — — US disclosed
WO-2021013155-A1 NOVEL GLYCOSYL DONOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川大学 2021-01-28 — — WO 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-20220127239-A1 GLYCOSYL DONOR, PREPARATION METHOD THEREFOR, AND USE THEREOF UGGT1, ALG8, FUT6 TSHR 4585/4885KDM4E 3473/4885ALDH1A1 689/4885

“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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