SCHEMBL19340138

SCHEMBL19340138

CC(C)=C1CC(=O)N(C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL24186598 0.77 GSK3A (0.34) GSK3AGSK3BALDH1A1
SCHEMBL22728277 0.71 SMN1; SMN2 (0.40) ALDH1A1
SCHEMBL20668468 0.71 MEN1 (0.37) —
SCHEMBL6895559 0.69 — —
SCHEMBL20734016 0.67 — —
SCHEMBL13342621 0.67 — —
SCHEMBL7945735 0.67 — —
SCHEMBL23894741 0.67 GSK3A (0.38) GSK3AGSK3B
SCHEMBL11205274 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14872073 0.65 — —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021143677-A1 FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2021-07-22 — — WO disclosed
WO-2020190760-A1 IMMUNOCONJUGATES TARGETING CEA BOLT BIOTHERAPEUTICS, INC. (US) 2020-09-24 — — WO disclosed
US-10780096-B2 Pyrrolobenzodiazepine-antibody conjugates ADC THERAPEUTICS SA (CH) 2020-09-22 — — US disclosed
US-20170258934-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2017-09-14 — — 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 (2 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-20170258934-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES IL2RA, CD2, CD4 GSK3A 3987/4885GSK3B 3561/4885ALDH1A1 375/4885
US-10780096-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD2, CD4 GSK3A 3987/4885GSK3B 3561/4885ALDH1A1 375/4885

“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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