SCHEMBL5494081

SCHEMBL5494081

COc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](C[SeH])C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ NR1D1 P20393 1/20 0.39
▸ BMP1 P13497 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL11579749 0.88 LDHA (0.43) LDHAACHEL3MBTL1PPARGPPARA
SCHEMBL11400130 0.88 LDHA (0.43) LDHAACHEL3MBTL1PPARGPPARA
SCHEMBL10519344 0.88 LDHA (0.43) LDHAACHEL3MBTL1PPARGPPARA
SCHEMBL2544891 0.88 ALDH1A1 (0.39) L3MBTL1PPARGPPARAMEN1KMT2A
SCHEMBL8893537 0.81 LDHA (0.44) LDHAACHEL3MBTL1PPARGPPARA
SCHEMBL11148899 0.81 LDHA (0.43) LDHAACHEL3MBTL1PPARGPPARA
SCHEMBL24291657 0.80 ALDH1A1 (0.43) LDHAACHEL3MBTL1TDP1MEN1
SCHEMBL16991845 0.78 ALDH1A1 (0.49) LDHAACHEL3MBTL1PPARGPPARA
SCHEMBL25609121 0.78 ALDH1A1 (0.41) LDHAACHEL3MBTL1PPARGPPARA
SCHEMBL25609123 0.77 NR1D1 (0.43) LDHAACHEL3MBTL1PPARGPPARA

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-7312195-B2 Cyclised conotoxin peptides THE UNIVERSITY OF QUEENSLAND (AU) 2007-12-25 — — US disclosed
US-20050256301-A1 Cyclised conotoxin peptides THE UNIVERSITY OF QUEENSLAND (AU) 2005-11-17 — — 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-20050256301-A1 Cyclised conotoxin peptides VIP, CANX, IAPP LDHA 4136/4885ACHE 1686/4885L3MBTL1 3649/4885

“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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