SCHEMBL21588102

SCHEMBL21588102

COc1cc(OC)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2=O

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.71
▸ SYNJ2 O15056 3/20 0.60
▸ APP P05067 1/20 0.60
▸ SOST Q9BQB4 1/20 0.60
▸ XDH P47989 3/20 0.57
▸ ABCB1 P08183 6/20 0.54

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
SCHEMBL23743756 0.96 ALDH1A1 (0.73) ALDH1A1SYNJ2APPSOSTXDH
SCHEMBL30350498 0.90 SYNJ2 (0.74) ALDH1A1SYNJ2APPSOSTXDH
SCHEMBL21588168 0.90 SYNJ2 (0.74) ALDH1A1SYNJ2APPSOSTXDH
SCHEMBL23743745 0.89 XDH (0.65) ALDH1A1SYNJ2APPSOSTXDH
SCHEMBL26481156 0.88 SYNJ2 (0.60) ALDH1A1SYNJ2APPSOSTXDH
SCHEMBL16942322 0.86 ALDH1A1 (0.76) ALDH1A1XDHABCB1
SCHEMBL10335311 0.85 XDH (0.67) ALDH1A1SYNJ2APPSOSTXDH
SCHEMBL28545861 0.85 ALDH1A1 (0.78) ALDH1A1XDHABCB1
SCHEMBL17179811 0.83 ALDH1A1 (1.00) ALDH1A1XDHABCB1
SCHEMBL28213500 0.81 ALDH1A1 (0.71) ALDH1A1SOSTXDH

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-11643405-B2 Compound for treatment or prevention of liver diseases JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2023-05-09 — — US 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 (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 ALDH1A1 164/4885SYNJ2 2304/4885APP 1995/4885

“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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