SCHEMBL25894394

SCHEMBL25894394

CCOC(=O)Cc1ccccc1OC(=C/C(B1OC(C)(C)C(C)(C)O1)=C(\C)O)CC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.36
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ABCB1 P08183 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
SCHEMBL21455145 1.00 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL25894459 0.93 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL21455391 0.93 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL21455148 0.90 TBXAS1 (0.37) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL25895072 0.90 TBXAS1 (0.37) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL24200307 0.89 SMN1; SMN2 (0.33) AKR1C3AKR1C2PKMSMN1; SMN2ALDH1A1
SCHEMBL21562070 0.89 MAOB (0.31) EGFR
SCHEMBL23656672 0.88 TBXAS1 (0.36) TBXAS1AKR1C3AKR1C2PKMSMN1; SMN2
SCHEMBL24555300 0.87 EGFR (0.31) AKR1C3AKR1C2EGFR
SCHEMBL23241659 0.86 KDM4E (0.36) GAAALDH1A1L3MBTL1EGFRKDM4E

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-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 — — 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-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP TBXAS1 75/4885AKR1C3 180/4885AKR1C2 1442/4885

“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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