SCHEMBL21588096

SCHEMBL21588096

Oc1cc(O)c2c(c1)OC(c1cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c1)C(O)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.58
▸ MAPK14 Q16539 1/20 0.58
▸ BACE1 P56817 6/20 0.58
▸ KDM4E B2RXH2 6/20 0.58
▸ MAPT P10636 4/20 0.58
▸ APEX1 P27695 4/20 0.58
▸ RECQL P46063 4/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SNCA P37840 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ ALOX15 P16050 3/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ PTGS2 P35354 2/20 0.58
▸ RAD52 P43351 2/20 0.58
▸ SYNJ2 O15056 1/20 0.58
▸ CNR1 P21554 1/20 0.58

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
SCHEMBL30350384 1.00 PTGS1 (0.58) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL16019846 0.89 BACE1 (0.65) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL21588114 0.89 ABCB1 (0.54) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL30350345 0.87 PTGS1 (0.49) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL23202736 0.87 PTGS1 (0.49) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL21738186 0.85 BACE1 (0.57) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL513123 0.85 ABCB1 (0.52) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL24983403 0.85 ABCB1 (0.52) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL30892442 0.85 ABCB1 (0.52) PTGS1MAPK14BACE1KDM4EMAPT
SCHEMBL30141015 0.85 ABCB1 (0.52) PTGS1MAPK14BACE1KDM4EMAPT

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 7 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 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-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 PTGS1 342/4885MAPK14 2420/4885BACE1 1906/4885
US-11643405-B2 Compound for treatment or prevention of liver diseases SLC10A1, GYS2, CPT1A PTGS1 342/4885MAPK14 2420/4885BACE1 1906/4885

“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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