SCHEMBL1506652

SCHEMBL1506652

CCOC(=O)CCN(O[PH](C)=O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 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
SCHEMBL10654873 0.74 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1506449 0.71 CYP1A2 (0.38) CYP1A2GAAMGAMSIMGAM2
SCHEMBL4788929 0.71 MEN1 (0.60) CYP1A2GAAMGAMSIMGAM2
SCHEMBL66021 0.71 ALDH1A1 (0.54) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1935858 0.69 CA12 (0.43) CYP1A2GAAMGAMSIMGAM2
SCHEMBL3903055 0.69 DNM1 (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL2001291 0.69 ALDH1A1 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10695249 0.69 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL12361399 0.67 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9319516 0.67 ALDH1A1 (0.50) CYP1A2GAAMGAMSIMGAM2

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-20110059898-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS CANCURE LIMITED (AU) 2011-03-10 US claimed

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-20110059898-A1 PRO-OXIDANT ANTI-CANCER COMPOUNDS PRDX5, MT-ND2, UQCRC2 CYP1A2 790/4885GAA 4373/4885MGAM 3411/4885

“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.