SCHEMBL12166161

SCHEMBL12166161

COC(=O)/C(O)=C(\O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
EGLN1 Q9GZT9 1/20 0.39
TET2 Q6N021 1/20 0.33
TGFBR1 P36897 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8607826 1.00 ALDH1A1 (0.41) ALDH1A1EGLN1TET2TGFBR1HCAR2
SCHEMBL8605808 1.00 ALDH1A1 (0.41) ALDH1A1EGLN1TET2TGFBR1HCAR2
SCHEMBL3185570 0.90 ALDH1A1 (0.47) ALDH1A1EGLN1TET2TGFBR1HCAR2
SCHEMBL823296 0.90 ALDH1A1 (0.47) ALDH1A1EGLN1TET2TGFBR1HCAR2
SCHEMBL7770999 0.90 ALDH1A1 (0.47) ALDH1A1EGLN1TET2TGFBR1HCAR2
SCHEMBL28386374 0.78
SCHEMBL15133568 0.77 ALDH1A1 (0.38) ALDH1A1EGLN1TET2TGFBR1
SCHEMBL126786 0.76
Oxalic Acid SCHEMBL21633322 0.76 ALDH1A1 (0.47) ALDH1A1EGLN1TET2TGFBR1HCAR2
SCHEMBL27713670 0.75 ALDH1A1 (0.41) ALDH1A1EGLN1TET2TGFBR1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105503-A A kind of efficient diminishing polycarboxylate water-reducer of viscosity reduction type and preparation method thereof 湖南大学 2019-08-09 CN disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 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-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD ALDH1A1 337/4885EGLN1 1127/4885TET2 1192/4885

“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.