SCHEMBL5002525

SCHEMBL5002525

CCC(C)OP(=O)(O)CN1CCN(C=O)CCN(C=O)CCN(C=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.30

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
SCHEMBL7420965 0.79 KDM4E (0.38) KDM4EALDH1A1POLBMAPTGAA
SCHEMBL5002884 0.72 KDM4E (0.33) KDM4EALDH1A1POLB
SCHEMBL1378162 0.69 LAP3 (0.31)
SCHEMBL5002524 0.68 TSHR (0.39) KDM4EALDH1A1POLBHSD17B10GAA
SCHEMBL13805269 0.68 TSHR (0.39) KDM4EALDH1A1POLBHSD17B10GAA
SCHEMBL776263 0.67 LAP3 (0.36) ALDH1A1
SCHEMBL2382813 0.66 AOX1 (0.33) ALDH1A1
SCHEMBL1251447 0.66 PPARD (0.35)
SCHEMBL11745106 0.66 LAP3 (0.34) ALDH1A1
SCHEMBL4574776 0.64 LAP3 (0.33)

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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives POLI, PARP1, DHPS KDM4E 2936/4885ALDH1A1 2631/4885POLB 43/4885

“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.