SCHEMBL20930482

SCHEMBL20930482

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 3/20 0.33
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 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
SCHEMBL28333073 0.83 HCAR2 (0.39) HCAR2KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL4660722 0.79 ALDH1A1 (0.40) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL2334069 0.79 ALDH1A1 (0.40) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL2334064 0.79 ALDH1A1 (0.40) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL25054254 0.77 ALDH1A1 (0.39) HCAR2KEAP1NFE2L2ALDH1A1RECQL
SCHEMBL903354 0.77 ALDH1A1 (0.39) HCAR2KEAP1NFE2L2ALDH1A1RECQL
SCHEMBL901154 0.76 ALDH1A1 (0.37) HCAR2KEAP1NFE2L2ALDH1A1CRBN
SCHEMBL286132 0.76 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL286130 0.76 HCAR2 (0.40) HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL8232405 0.76 LMNA (0.42) HCAR2KEAP1NFE2L2ALDH1A1TSHR

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-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Ivan Aleksandrovich Starikov 2019-04-25 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-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF OGDH, GOT1, OAT HCAR2 1032/4885KEAP1 186/4885NFE2L2 112/4885

“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.