SCHEMBL29655381

SCHEMBL29655381

C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.48
XDH P47989 1/20 0.45
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA7 P43166 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
PTPN1 P18031 1/20 0.40
CA1 P00915 2/20 0.40
CA5A P35218 2/20 0.40
CA9 Q16790 2/20 0.40
CA3 P07451 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ELANE P08246 1/20 0.39
AKR1B1 P15121 2/20 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
SCHEMBL29655347 0.82 STAT3 (0.67) HSP90AA1XDHSTAT3SMN1; SMN2CA12
Gentiopicroside SCHEMBL31387950 0.81 STAT3 (0.58) STAT3PTPN1
Gentiopicroside SCHEMBL154304 0.81 STAT3 (0.58) STAT3PTPN1
SCHEMBL29655354 0.78 STAT3 (0.54) STAT3PTPN1
SCHEMBL10307500 0.78 STAT3 (0.39) HSP90AA1XDHSTAT3KDM4ECYP3A4
SCHEMBL30486432 0.76 STAT3 (0.53) STAT3CA12CA2PTPN1CA1
Grandidentatin SCHEMBL29891462 0.75 HSP90AA1 (0.50) HSP90AA1XDHSMN1; SMN2CA12CA2
SCHEMBL31485701 0.72 CA2 (0.59) HSP90AA1XDHSMN1; SMN2CA12CA2
SCHEMBL31467364 0.71 STAT3 (0.66) STAT3ELANE
SCHEMBL15144479 0.71 CA2 (0.64) HSP90AA1XDHSMN1; SMN2CA12CA2

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 HSP90AA1 600/4885XDH 769/4885STAT3 2027/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 HSP90AA1 600/4885XDH 769/4885STAT3 2027/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 HSP90AA1 600/4885XDH 769/4885STAT3 2027/4885

“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.