SCHEMBL23743756

SCHEMBL23743756

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

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.73
▸ XDH P47989 3/20 0.57
▸ ABCB1 P08183 7/20 0.55
▸ SYNJ2 O15056 1/20 0.55
▸ APP P05067 1/20 0.55
▸ SOST Q9BQB4 1/20 0.55

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
SCHEMBL21588102 0.96 ALDH1A1 (0.71) ALDH1A1XDHABCB1SYNJ2APP
SCHEMBL23743745 0.93 XDH (0.65) ALDH1A1XDHSYNJ2APPSOST
SCHEMBL10335311 0.89 XDH (0.67) ALDH1A1XDHSYNJ2APPSOST
SCHEMBL16942322 0.88 ALDH1A1 (0.76) ALDH1A1XDHABCB1
SCHEMBL30350498 0.86 SYNJ2 (0.74) ALDH1A1XDHSYNJ2APPSOST
SCHEMBL21588168 0.86 SYNJ2 (0.74) ALDH1A1XDHSYNJ2APPSOST
SCHEMBL30152833 0.84 SOST (0.79) ALDH1A1XDHSYNJ2APPSOST
SCHEMBL30152781 0.84 SOST (0.79) ALDH1A1XDHSYNJ2APPSOST
SCHEMBL15543702 0.84 SOST (0.79) ALDH1A1XDHSYNJ2APPSOST
SCHEMBL17179811 0.84 ALDH1A1 (1.00) ALDH1A1XDHABCB1

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-20210246126-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2021-08-12 — — 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-20210246126-A1 COMPOUND FOR TREATMENT OR PREVENTION OF LIVER DISEASES SLC10A1, GYS2, CPT1A ALDH1A1 164/4885XDH 137/4885ABCB1 131/4885

“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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