SCHEMBL21588060

SCHEMBL21588060

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ GAA P10253 4/20 0.52
▸ ALPL P05186 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ CYP3A4 P08684 5/20 0.51
▸ CYP2C9 P11712 4/20 0.51
▸ ALOX15 P16050 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ SLCO1B3 Q9NPD5 3/20 0.51
▸ SLCO1B1 Q9Y6L6 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ SLCO2B1 O94956 2/20 0.51
▸ F2 P00734 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ ALOX12 P18054 1/20 0.51

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 0.91 KDM4E (0.57) KDM4EGAAALPLPOLBCYP3A4
SCHEMBL21588057 0.88 KDM4E (0.53) KDM4EGAAALPLPOLBCYP3A4
SCHEMBL21588204 0.86 CYP3A4 (0.67) KDM4EGAAALPLPOLBCYP3A4
SCHEMBL26480861 0.86 CYP3A4 (0.67) KDM4EGAAALPLPOLBCYP3A4
SCHEMBL21588115 0.85 KDM4E (0.53) KDM4EGAAALPLPOLBCYP3A4
SCHEMBL21588158 0.85 CYP3A4 (0.51) KDM4EGAAALPLPOLBCYP3A4
SCHEMBL26481102 0.83 DPP4 (0.49) KDM4EGAAALPLPOLBCYP3A4
3'-O-Methyl Epicatechin SCHEMBL25248714 0.82 BACE1 (0.73) KDM4EGAAALPLPOLBCYP3A4
3'-O-Methyl Epicatechin SCHEMBL349229 0.82 BACE1 (0.73) KDM4EGAAALPLPOLBCYP3A4
3'-O-Methyl Epicatechin SCHEMBL30933002 0.82 BACE1 (0.73) KDM4EGAAALPLPOLBCYP3A4

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 12 patents. 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 claimed
US-20210246126-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2021-08-12 — — US claimed
EP-3805216-A1 COMPOUNDS FOR TREATMENT OR PREVENTION OF LIVER DISEASES Jiangsu Atom Bioscience and Pharmaceutical Co., Ltd. (CN) 2021-04-14 — — EP claimed
US-11643405-B2 Compound for treatment or prevention of liver diseases JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2023-05-09 — — US disclosed
US-11643405-B2 Compound for treatment or prevention of liver diseases JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2023-05-09 — — US disclosed
US-11643405-B2 Compound for treatment or prevention of liver diseases JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2023-05-09 — — US disclosed
CN-110183431-B Compound for treating or preventing liver diseases 江苏新元素医药科技有限公司 2023-04-11 — — CN disclosed
US-20210246126-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2021-08-12 — — US disclosed
US-20210246126-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2021-08-12 — — US disclosed
EP-3805216-A1 COMPOUNDS FOR TREATMENT OR PREVENTION OF LIVER DISEASES Jiangsu Atom Bioscience and Pharmaceutical Co., Ltd. (CN) 2021-04-14 — — EP disclosed
EP-3805216-A1 COMPOUNDS FOR TREATMENT OR PREVENTION OF LIVER DISEASES Jiangsu Atom Bioscience and Pharmaceutical Co., Ltd. (CN) 2021-04-14 — — EP disclosed
WO-2019233440-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES 江苏新元素医药科技有限公司 (CN) 2019-12-12 — — WO 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 (2 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-20210246126-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES SLC10A1, GYS2, CPT1A KDM4E 4649/4885GAA 136/4885ALPL 230/4885
US-11643405-B2 Compound for treatment or prevention of liver diseases SLC10A1, GYS2, CPT1A KDM4E 4649/4885GAA 136/4885ALPL 230/4885

“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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