SCHEMBL19768612

SCHEMBL19768612

C=C1C(CC(C)=O)CC[C@H]1CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.33
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL17964233 1.00 MIF (0.33) MIFDDB1CRBNMT-CO2ALOX5
SCHEMBL17964268 0.94 BTK (0.33) MIF
SCHEMBL19768595 0.94 BTK (0.33) MIF
SCHEMBL17964283 0.89 MIF (0.33) MIFDDB1CRBN
SCHEMBL19768602 0.89 MIF (0.33) MIFDDB1CRBN
SCHEMBL17964284 0.85 MT-CO2 (0.34) MIFDDB1CRBNMT-CO2ALOX5
SCHEMBL19768577 0.85 MT-CO2 (0.34) MIFDDB1CRBNMT-CO2ALOX5
SCHEMBL19768621 0.84 MIF (0.32) MIF
SCHEMBL17964239 0.84 MIF (0.32) MIF
SCHEMBL17964256 0.83 MIF (0.32) MIF

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-20180016221-A1 SPIROFURANONE COMPOUNDS, DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2018-01-18 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-20180016221-A1 SPIROFURANONE COMPOUNDS, DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION PKD1, PKD2, DHPS MIF 2261/4885DDB1 2078/4885CRBN 3230/4885

“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.