SCHEMBL7210415

SCHEMBL7210415

CCOC(=O)CC(=O)C(F)(F)F.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
POLB P06746 1/20 0.39
FAAH O00519 8/20 0.39
CES1 P23141 5/20 0.38
CES2 O00748 3/20 0.38
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL77331 0.98 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7406648 0.96 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3265478 0.96 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL10546276 0.96 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5149685 0.94 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5148170 0.90 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25223809 0.88 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2157670 0.87 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6248725 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15286697 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1

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-6617282-B2 Useful as herbicides, defoliants and desiccants. ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-09 US disclosed
US-20030096990-A1 Processes for preparing 3-phenyl-2,4(1H, 3H)-pyrimidinediones ISHIHARA SANGYO KAISHA, LTD. 2003-05-22 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-20030096990-A1 Processes for preparing 3-phenyl-2,4(1H, 3H)-pyrimidinediones HPD, DDT, DPYD GAA 456/4885MGAM 880/4885SI 516/4885

“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.