SCHEMBL25938257

SCHEMBL25938257

C=C1C(=O)O[C@]23N[C@@]24C(COC(=O)Cc2ccc(O)cc2)=CC(=O)C4=C(C)C[C@H](O[C@H]2CC(C)=C4C(=O)C=C(COC(=O)Cc5ccc(O)cc5)C4C4OC(=O)[C@@H](C)C42)[C@@H]13

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL25938254 0.74 CYP1A2 (0.56) ALDH1A1MAPK1LMNACYP1A2
SCHEMBL30608789 0.71 ALDH1A1 (0.69) ALDH1A1MAPK1LMNACYP1A2
SCHEMBL29973846 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL14215977 0.63 ALDH1A1 (0.48) ALDH1A1
SCHEMBL3031437 0.63 ALDH1A1 (1.00) ALDH1A1MAPK1LMNACYP1A2
Austricin SCHEMBL14029373 0.51 CYP1A2 (0.97) ALDH1A1MAPK1LMNACYP1A2
Austricin SCHEMBL4735162 0.51 CYP1A2 (0.97) ALDH1A1MAPK1LMNACYP1A2
Austricin SCHEMBL14190527 0.51 CYP1A2 (0.97) ALDH1A1MAPK1LMNACYP1A2
SCHEMBL28907163 0.51 CYP19A1 (0.34) ALDH1A1
Lactucin SCHEMBL11891057 0.48 CYP19A1 (0.43) ALDH1A1MAPK1LMNACYP1A2

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-20230233514-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING, INC. 2023-07-27 — — 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-20230233514-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USING THE SAME ACE2, ACE, EIF2AK2 ALDH1A1 3687/4885MAPK1 4247/4885LMNA 2784/4885

“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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