SCHEMBL6015034

SCHEMBL6015034

CCOC(=O)/C(=C\N(C)C)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
NPSR1 Q6W5P4 1/20 0.41
GLO1 Q04760 1/20 0.41
SOAT1 P35610 1/20 0.39
ALDH1A1 P00352 6/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 4/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL1325598 1.00 CYP2C9 (0.55) CYP2C9NPSR1GLO1SOAT1ALDH1A1
SCHEMBL15786135 1.00 CYP2C9 (0.55) CYP2C9NPSR1GLO1SOAT1ALDH1A1
SCHEMBL6218422 0.88 CYP2C9 (0.51) CYP2C9NPSR1GLO1SOAT1ALDH1A1
SCHEMBL6820603 0.88 CYP2C9 (0.51) CYP2C9NPSR1GLO1SOAT1ALDH1A1
SCHEMBL5901419 0.84 CYP2C9 (0.51) CYP2C9NPSR1GLO1SOAT1ALDH1A1
SCHEMBL5901415 0.84 CYP2C9 (0.51) CYP2C9NPSR1GLO1SOAT1ALDH1A1
SCHEMBL22042136 0.82 CYP2C9 (0.50) CYP2C9NPSR1GLO1SOAT1ALDH1A1
SCHEMBL10609078 0.81 CYP2C9 (0.49) CYP2C9NPSR1GLO1SOAT1ALDH1A1
SCHEMBL5908360 0.81 CYP2C9 (0.49) CYP2C9NPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL17156385 0.81 CYP2C9 (0.39) CYP2C9ALDH1A1MEN1KMT2AGAA

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-20060223708-A1 Substituted N-[pyrimidin-2-ylmethyl]carboxamides and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2006-10-05 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-20060223708-A1 Substituted N-[pyrimidin-2-ylmethyl]carboxamides and their use as herbicides and plant growth regulators CNPY2, PRXL2A, CBR3 CYP2C9 957/4885NPSR1 950/4885GLO1 938/4885

“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.