SCHEMBL20924939

SCHEMBL20924939

CCOC(=O)/C(O)=C/C(=O)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
CDC25B P30305 3/20 0.55
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
GPR52 Q9Y2T5 1/20 0.46
HPGD P15428 1/20 0.46
CNR2 P34972 1/20 0.44
TSHR P16473 1/20 0.42
PTPN1 P18031 1/20 0.42
PLK1 P53350 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3307432 0.84 NR4A1 (0.50) CA12CA2CA9CDC25BALDH1A1
SCHEMBL3307437 0.84 NR4A1 (0.50) CA12CA2CA9CDC25BALDH1A1
SCHEMBL934197 0.82 MEN1 (0.53) CA12CA2CA9ALDH1A1MEN1
SCHEMBL934198 0.82 MEN1 (0.53) CA12CA2CA9ALDH1A1MEN1
SCHEMBL10418623 0.81 CDC25B (0.52) CA12CA2CA9CDC25BALDH1A1
SCHEMBL10418624 0.81 CDC25B (0.52) CA12CA2CA9CDC25BALDH1A1
SCHEMBL20924942 0.81 CDC25B (0.55) CA12CA2CA9CDC25BALDH1A1
SCHEMBL697232 0.79 CDC25B (0.63) CA12CA2CA9CDC25BALDH1A1
SCHEMBL21129313 0.79 KMT2A (0.43) CA12CA2CA9ALDH1A1KDM4E
SCHEMBL3311339 0.79 NR4A1 (0.58) CA12CA2CA9CDC25BALDH1A1

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-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Ivan Aleksandrovich Starikov 2019-04-25 US disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP 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 CA12 763/4885CA2 275/4885CA9 751/4885

“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.