SCHEMBL25874361

SCHEMBL25874361

NCCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.56
CHRND Q07001 8/20 0.55
CHRNA1 P02708 4/20 0.55
CHRNG P07510 4/20 0.55
CHRNB1 P11230 4/20 0.55
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
GRIA1 P42261 2/20 0.51
F2 P00734 1/20 0.49

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
SCHEMBL16485202 0.90 CHRNB2 (0.56) MMP2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL17128773 0.90 CHRNB2 (0.56) MMP2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL25873942 0.89 CHRNB2 (0.52) CHRNDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16485208 0.89 MMP2 (0.60) MMP2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL25887442 0.87 HDAC3 (0.53) CHRNDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16485165 0.87 CHRNA1 (0.54) MMP2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL38659045 0.86 CHRND (0.59) MMP2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL25873928 0.86 CHRNB2 (0.47) CHRNDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25452475 0.86 OPRD1 (0.51) MMP2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL17029474 0.86 CHRNB2 (0.54) MMP2CHRNDCHRNA1CHRNGCHRNB1

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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-07-06 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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL MMP2 456/4885CHRND 4142/4885CHRNA1 4443/4885

“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.