SCHEMBL25810088

SCHEMBL25810088

CCOCCOC(=O)NCCCN=[N+]=[N-]

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.51
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL23138402 0.91 ACHE (0.46) ACHETSHRALDH1A1
SCHEMBL22381321 0.87 ACHE (0.55) ACHE
SCHEMBL30354527 0.85 ACHE (0.60) ACHE
SCHEMBL25808995 0.83 TSHR (0.43) ACHETSHRALDH1A1
SCHEMBL23607511 0.80 ACHE (0.66) ACHE
SCHEMBL16013082 0.80 ACHE (0.51) ACHE
SCHEMBL30080469 0.78 ACHE (0.51) ACHE
SCHEMBL19513091 0.78 ACHE (0.58) ACHE
SCHEMBL16166336 0.77 ACHE (0.57) ACHE
SCHEMBL25808981 0.77 DGKA (0.44) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787906-B2 Biodegradable drug-polymer conjugate POLYACTIVA PTY LTD (AU) 2023-10-17 US disclosed
US-11696955-B2 Drug-polymer conjugate POLYACTIVA PTY LTD (AU) 2023-07-11 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-11696955-B2 Drug-polymer conjugate PTGDR, PTGDR2, PTGER3 ACHE 3335/4885TSHR 517/4885ALDH1A1 868/4885
US-11787906-B2 Biodegradable drug-polymer conjugate ADRB3, PTGER3, CHRM3 ACHE 351/4885TSHR 609/4885ALDH1A1 907/4885

“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.