SCHEMBL23451364

SCHEMBL23451364

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)NCCCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.44
▸ AKT1 P31749 1/20 0.39
▸ PLK1 P53350 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33

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
SCHEMBL29467713 1.00 GLP1R (0.44) GLP1RAKT1PLK1HPGDHTT
SCHEMBL23451366 1.00 GLP1R (0.44) GLP1RAKT1PLK1HPGDHTT
SCHEMBL29467572 0.95 GLP1R (0.41) GLP1RAKT1PLK1HPGDHTT
SCHEMBL25332401 0.95 GLP1R (0.41) GLP1RAKT1PLK1HPGDHTT
SCHEMBL30408925 0.95 GLP1R (0.42) GLP1RAKT1PLK1HPGDHTT
SCHEMBL30407069 0.92 GLP1R (0.42) GLP1RAKT1PLK1CA1CA2
SCHEMBL29467635 0.91 GLP1R (0.40) GLP1RAKT1PLK1CA1CA2
SCHEMBL31720104 0.91 GLP1R (0.44) GLP1RAKT1PLK1PSEN1PSEN2
SCHEMBL31720361 0.91 GLP1R (0.44) GLP1RAKT1PLK1PSEN1PSEN2
SCHEMBL29467661 0.90 GLP1R (0.43) GLP1RAKT1PLK1HPGDHTT

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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 — — 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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B GLP1R 4709/4885AKT1 4766/4885PLK1 256/4885

“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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