SCHEMBL13345378

SCHEMBL13345378

COC(=O)/C=C/CC1OC(C)(C)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.38
NR3C1 P04150 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TTR P02766 1/20 0.32
APP P05067 1/20 0.32
PTPN1 P18031 1/20 0.31
PRKCA P17252 4/20 0.30
GLA P06280 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3589038 0.83 GLS (0.37) GLSHCAR2KEAP1NFE2L2PRKCA
SCHEMBL3589034 0.83 GLS (0.37) GLSHCAR2KEAP1NFE2L2PRKCA
SCHEMBL8775651 0.81 GLS (0.33) GLSGLANPSR1
SCHEMBL797085 0.81 GLS (0.33) GLSGLANPSR1
SCHEMBL797083 0.81 GLS (0.33) GLSGLANPSR1
SCHEMBL8775656 0.81 GLS (0.33) GLSGLANPSR1
SCHEMBL17225897 0.76 ALDH1A1 (0.38) GLS
SCHEMBL1623008 0.73 GLS (0.47) GLSGLANPSR1
SCHEMBL18916559 0.73 GLS (0.47) GLSGLANPSR1
SCHEMBL1623010 0.73 GLS (0.47) GLSGLANPSR1

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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH GLS 431/4885NR3C1 1088/4885HCAR2 156/4885

“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.