SCHEMBL29655347

SCHEMBL29655347

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2ccc(O)cc2)OC=C2C(=O)OCC[C@H]21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.67
HSP90AA1 P07900 4/20 0.47
XDH P47989 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA7 P43166 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
PTPN1 P18031 1/20 0.40
ELANE P08246 1/20 0.40
AMY2A P04746 1/20 0.39
CA1 P00915 2/20 0.39
CA5A P35218 2/20 0.39
CA9 Q16790 2/20 0.39
CA3 P07451 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL29655381 0.82 HSP90AA1 (0.48) STAT3HSP90AA1XDHSMN1; SMN2CA12
Sweroside SCHEMBL14278967 0.81 STAT3 (1.00) STAT3PTPN1
Sweroside SCHEMBL307117 0.81 STAT3 (1.00) STAT3PTPN1
SCHEMBL29425739 0.79 STAT3 (0.69) STAT3HSP90AA1CA12CA7PTPN1
SCHEMBL1031187 0.78 STAT3 (0.61) STAT3HSP90AA1XDHCA12CA2
SCHEMBL29655170 0.78 STAT3 (0.61) STAT3HSP90AA1CA12CA2CA4
SCHEMBL22662483 0.78 STAT3 (0.61) STAT3HSP90AA1XDHCA12CA2
SCHEMBL22662484 0.78 STAT3 (0.61) STAT3HSP90AA1XDHCA12CA2
Grandidentatin SCHEMBL29891462 0.77 HSP90AA1 (0.50) HSP90AA1XDHSMN1; SMN2CA12CA2
SCHEMBL29425926 0.72 PRKCA (0.49) HSP90AA1XDHKDM4ECYP3A4PTPN1

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-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 STAT3 2027/4885HSP90AA1 600/4885XDH 769/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 STAT3 2027/4885HSP90AA1 600/4885XDH 769/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 STAT3 2027/4885HSP90AA1 600/4885XDH 769/4885

“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.