SCHEMBL718722

SCHEMBL718722

Cc1c(OCC(=O)OC(C)(C)C)nc(C2CC2)nc1OCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PDE8B O95263 1/20 0.33
POLB P06746 1/20 0.33
CNR2 P34972 6/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SYK P43405 1/20 0.32
ENPP2 Q13822 1/20 0.32
MAPK1 P28482 1/20 0.31
LDHA P00338 1/20 0.31

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
SCHEMBL12713474 0.92 KDM4E (0.35) ALOX5APFEN1KDM4EALDH1A1HPGD
SCHEMBL12713483 0.87 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL12713482 0.85 SYK (0.36) PDE10ACNR2SYK
SCHEMBL718535 0.84 TSHR (0.41) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL13769259 0.77 TSHR (0.42) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL717059 0.76 TSHR (0.38) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL719801 0.75 PDE10A (0.44) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL22289650 0.68 POLQ (0.52) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL16741256 0.67 ALOX5AP (0.39) ALOX5APFEN1KDM4EALDH1A1HPGD
SCHEMBL1610787 0.66 PDE10A (0.41) PDE10A

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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP ALOX5AP 1369/4885FEN1 456/4885KDM4E 2202/4885

“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.