SCHEMBL30833586

SCHEMBL30833586

CC(C)(C)OC(=O)CN1CCNCC(CC(N)=O)N(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32

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
SCHEMBL3470165 0.82 PARP1 (0.37) PARP1SIGMAR1PLA2G10PLA2G5
SCHEMBL14536511 0.80 SIGMAR1 (0.43) SIGMAR1PLA2G10PLA2G5
SCHEMBL583320 0.78 SIGMAR1 (0.49) SIGMAR1PLA2G10PLA2G5
SCHEMBL1149470 0.78 SIGMAR1 (0.49) SIGMAR1PLA2G10PLA2G5
SCHEMBL8894875 0.77 ZDHHC9 (0.40) PARP1PLA2G10PLA2G5
SCHEMBL4771744 0.77 SIGMAR1 (0.47) SIGMAR1PLA2G10PLA2G5
Bromide SCHEMBL583318 0.77 SIGMAR1 (0.47) SIGMAR1PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL8209880 0.77 SIGMAR1 (0.47) SIGMAR1PLA2G10PLA2G5
SCHEMBL4134315 0.76 SIGMAR1 (0.50) SIGMAR1PLA2G10PLA2G5
SCHEMBL649131 0.76 SIGMAR1 (0.50) SIGMAR1PLA2G10PLA2G5

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-20240108607-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2024-04-04 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-20240108607-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF C9, C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PARP1 2285/4885SIGMAR1 1106/4885PLA2G10 3178/4885

“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.