SCHEMBL13998093

SCHEMBL13998093

COC(=O)C1=COC(O)[C@H]2[C@@H]1[C@H](O)[C@H](OC(=O)c1ccc[nH]1)[C@]2(C)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.35
▸ RYR1 P21817 1/20 0.35
▸ TLR4 O00206 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ CTDSP1 Q9GZU7 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
SCHEMBL13998057 0.87 RYR1 (0.37) PTPN1RYR1TLR4
SCHEMBL13998101 0.83 ABCB1 (0.40) PTPN1TLR4
SCHEMBL13998090 0.82 PTPN1 (0.41) PTPN1TLR4POLBCTDSP1
SCHEMBL13998106 0.81 RYR1 (0.33) PTPN1RYR1
SCHEMBL13998094 0.81 KMT2A (0.40) PTPN1
SCHEMBL13998100 0.81 PTPN1 (0.37) PTPN1TLR4POLBCTDSP1
SCHEMBL13998095 0.80 KMT2A (0.39) PTPN1TLR4POLB
SCHEMBL13998102 0.80 PTPN1 (0.36) PTPN1TLR4POLBCTDSP1
SCHEMBL13998091 0.79 PTPN1 (0.39) PTPN1TLR4POLBCTDSP1
SCHEMBL13998092 0.78 PTPN1 (0.38) PTPN1TLR4POLBCTDSP1

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-20080319042-A1 Compositions and methods for treatment of liver disease CALECO PHARMA CORP. 2008-12-25 — — US disclosed
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 3880/4885RYR1 4531/4885TLR4 2654/4885

“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