SCHEMBL23451330

SCHEMBL23451330

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NCCCC[C@H](N)C(=O)NCCCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.40
▸ PLK1 P53350 2/20 0.39
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ GLP1R P43220 8/20 0.38
▸ RRM1 P23921 1/20 0.35
▸ TLR2 O60603 3/20 0.35
▸ NOD1 Q9Y239 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL29467697 1.00 DPP7 (0.40) DPP7PLK1GNAI3GNAO1GNAI1
SCHEMBL23451329 1.00 DPP7 (0.40) DPP7PLK1GNAI3GNAO1GNAI1
SCHEMBL29467645 0.87 PLK1 (0.45) DPP7PLK1GLP1RTLR2TSHR
SCHEMBL30407180 0.82 TDP1 (0.39) DPP7GNAI3GNAO1GNAI1GLP1R
SCHEMBL30410601 0.82 GLP1R (0.44) GLP1RTLR2
SCHEMBL31756841 0.81 PLK1 (0.42) DPP7PLK1TLR2
SCHEMBL29131983 0.81 PLK1 (0.42) DPP7PLK1TLR2
SCHEMBL26232048 0.81 PLK1 (0.42) DPP7PLK1TLR2
SCHEMBL30407618 0.81 TDP1 (0.38) DPP7GNAI3GNAO1GNAI1GLP1R
SCHEMBL30407749 0.81 TDP1 (0.38) DPP7GNAI3GNAO1GNAI1GLP1R

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 DPP7 2162/4885PLK1 256/4885GNAI3 2296/4885

“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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