SCHEMBL31324857

SCHEMBL31324857

COc1ccc2oc(=O)n(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDYL2 Q8N8U2 10/20 0.63
▸ CDYL Q9Y232 9/20 0.63
▸ CBX7 O95931 9/20 0.63
▸ CDY1; CDY1B Q9Y6F8 8/20 0.63
▸ KMO O15229 1/20 0.61
▸ CD74 P04233 2/20 0.54
▸ MIF P14174 2/20 0.54
▸ RECQL P46063 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TSPO P30536 1/20 0.50

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
SCHEMBL27033665 1.00 CDYL2 (0.63) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL16186523 0.84 IDO1 (0.62) KMO
SCHEMBL20472305 0.84 CBX7 (0.54) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL13099996 0.84 CDYL2 (0.64) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL30660243 0.84 CBX7 (0.54) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL2950965 0.83 KMO (0.76) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL29957877 0.83 KMO (0.76) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL29958210 0.82 CDYL2 (0.69) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL27033393 0.82 CDYL2 (0.69) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL5283365 0.82 HPGD (0.62) CDYL2CDYLCBX7CDY1; CDY1BSMN1; SMN2

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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 — — 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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CDYL2 3607/4885CDYL 3608/4885CBX7 4248/4885

“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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