SCHEMBL26481102

SCHEMBL26481102

COc1cc(C2Oc3cc(C4Oc5cc(C)cc(O)c5CC4O)cc(O)c3OC2CO)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.49
▸ PTPN1 P18031 1/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ PTGS1 P23219 3/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ ALOX15 P16050 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ SLCO1B3 Q9NPD5 3/20 0.46
▸ SLCO1B1 Q9Y6L6 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ SLCO2B1 O94956 2/20 0.46
▸ F2 P00734 2/20 0.46
▸ TSHR P16473 2/20 0.46

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
SCHEMBL21588131 0.92 KDM4E (0.57) MAPK14CYP3A4PTGS1CYP2C9ALOX15
SCHEMBL21588158 0.91 CYP3A4 (0.51) DPP4MAPK14CYP3A4PTGS1CYP2C9
SCHEMBL21588115 0.89 KDM4E (0.53) DPP4MAPK14CYP3A4PTGS1CYP2C9
SCHEMBL21588101 0.88 DPP4 (0.46) DPP4MAPK14CYP3A4PTGS1CYP2C9
SCHEMBL21588098 0.88 CYP3A4 (0.58) DPP4PTPN1MAPK14CYP3A4CYP2C9
SCHEMBL21588113 0.85 CYP2C9 (0.49) DPP4MAPK14CYP3A4PTGS1CYP2C9
SCHEMBL21588062 0.85 DPP4 (0.51) DPP4PTPN1MAPK14CYP3A4CYP2C9
SCHEMBL21588057 0.84 KDM4E (0.53) MAPK14CYP3A4PTGS1CYP2C9ALOX15
SCHEMBL26481099 0.83 PTPN1 (0.50) DPP4PTPN1CYP3A4CYP2C9ALOX15
SCHEMBL21588060 0.83 KDM4E (0.52) MAPK14CYP3A4PTGS1CYP2C9ALOX15

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-11643405-B2 Compound for treatment or prevention of liver diseases JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2023-05-09 — — 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-11643405-B2 Compound for treatment or prevention of liver diseases SLC10A1, GYS2, CPT1A DPP4 626/4885PTPN1 3257/4885MAPK14 2420/4885

“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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