SCHEMBL3899433

SCHEMBL3899433

CC=CCOC(=O)CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MGLL Q99685 1/20 0.35
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
DGKA P23743 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL448049 0.88 ADRA2A (0.41) TSHRMGLLADRA2AADRA1AMGAM
SCHEMBL20528139 0.86 MGAM (0.46) TSHRADRA2AADRA1AMGAMGAA
SCHEMBL3892225 0.84
SCHEMBL27331787 0.84 TSHR (0.47) TSHRMGLLADRA2AADRA1AGAA
SCHEMBL6552702 0.84 TSHR (0.52) TSHRNR1I2PGRADORA3PTGS2
SCHEMBL27450682 0.84 TSHR (0.52) TSHRNR1I2PGRADORA3PTGS2
SCHEMBL6550916 0.84 TSHR (0.52) TSHRNR1I2PGRADORA3PTGS2
SCHEMBL1695438 0.82 ALDH1A1 (0.48) TSHRMGLLNR1I2PGRADORA3
SCHEMBL2436353 0.82 ALDH1A1 (0.48) TSHRMGLLNR1I2PGRADORA3
SCHEMBL6552434 0.82 TSHR (0.55) TSHRNR1I2PGRADORA3PTGS2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521396-B2 Substituted (thioxo)carbonylaminophenyluracils BAYER CROPSCIENCE AG (DE) 2009-04-21 US claimed
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles BAYER CROPSCIENCE AG (DE) 2006-04-27 US claimed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP claimed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO claimed
US-7521396-B2 Substituted (thioxo)carbonylaminophenyluracils BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles BAYER CROPSCIENCE AG (DE) 2006-04-27 US disclosed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP disclosed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 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-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles NQO2, TYMP, DPYD TSHR 350/4885MGLL 4416/4885CYP4F2 712/4885

“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.