SCHEMBL5030295

SCHEMBL5030295

CCOC(=O)C(C)=CP(=O)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARD Q03181 2/20 0.36
MAPT P10636 2/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 2/20 0.34
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL5049652 0.80 ALDH1A1 (0.39) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL13992742 0.80 ALDH1A1 (0.39) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL16830100 0.80 GLO1 (0.45) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL21049926 0.80 PPARD (0.39) NPSR1ALDH1A1LMNAHSD17B10PPARD
SCHEMBL1030662 0.78 PPARD (0.38) ALDH1A1LMNAHSD17B10PPARDMAPT
SCHEMBL11336903 0.74 TSHR (0.43) NPSR1ALDH1A1LMNAPPARDTSHR
SCHEMBL5873561 0.74 GLO1 (0.40) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL9653714 0.74 GLO1 (0.40) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL8576108 0.74 GLO1 (0.40) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL27819712 0.74 GLO1 (0.37) GLO1NPSR1ALDH1A1LMNAHSD17B10

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 3 patents. 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
EP-1812453-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES Therapharm GmbH (CH) 2007-08-01 EP disclosed
WO-2006045546-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES THERAPHARM GMBH (CH) 2006-05-04 WO 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 GLO1 3455/4885NPSR1 2464/4885ALDH1A1 2631/4885

“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.