SCHEMBL13998183

SCHEMBL13998183

COC(=O)C1=CO[C@@H](C)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.49
▸ TLR4 O00206 1/20 0.43
▸ STAT3 P40763 9/20 0.33
▸ POLB P06746 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL13998196 0.88 PTPN1 (0.53) PTPN1TLR4STAT3POLBCTDSP1
SCHEMBL10042261 0.85 PTPN1 (0.33) PTPN1
SCHEMBL14010919 0.81 PTPN1 (0.46) PTPN1TLR4STAT3POLBCTDSP1
SCHEMBL13998040 0.78 PTPN1 (0.40) PTPN1TLR4STAT3POLBCTDSP1
Shanzhiside Methyl Ester SCHEMBL28007134 0.74 POLB (0.62) STAT3POLBCTDSP1MEN1MAPT
Shanzhiside Methyl Ester SCHEMBL12207355 0.74 POLB (0.62) STAT3POLBCTDSP1MEN1MAPT
Shanzhiside Methyl Ester SCHEMBL29965826 0.74 POLB (0.62) STAT3POLBCTDSP1MEN1MAPT
SCHEMBL14010694 0.69 POLB (0.39) PTPN1TLR4STAT3POLBCTDSP1
SCHEMBL13998037 0.69 PTPN1 (0.43) PTPN1TLR4STAT3POLBCTDSP1
SCHEMBL10042268 0.66 TLR4 (0.80) TLR4STAT3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319042-A1 Compositions and methods for treatment of liver disease CALECO PHARMA CORP. 2008-12-25 — — 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-20080319042-A1 Compositions and methods for treatment of liver disease HCCS, HAVCR2, PYGL PTPN1 3880/4885TLR4 2654/4885STAT3 3954/4885

“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.

Send feedback