SCHEMBL19768574

SCHEMBL19768574

C#CCC1CC[C@@H](CC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ACHE P22303 1/20 0.30
PLA2G10 O15496 1/20 0.30
PLA2G5 P39877 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
SCHEMBL17964314 1.00 MIF (0.32) MIFDDB1CRBNACHEPLA2G10
SCHEMBL19768570 0.94 ACHE (0.34) MIFDDB1CRBNACHE
SCHEMBL17964325 0.94 ACHE (0.34) MIFDDB1CRBNACHE
SCHEMBL19768619 0.85 MIF (0.33) MIF
SCHEMBL17964319 0.85 MIF (0.33) MIF
SCHEMBL19768577 0.83 MT-CO2 (0.34) MIFDDB1CRBNPLA2G10PLA2G5
SCHEMBL17964284 0.83 MT-CO2 (0.34) MIFDDB1CRBNPLA2G10PLA2G5
SCHEMBL19768599 0.83 BRD4 (0.41) MIFDDB1CRBNPLA2G10PLA2G5
SCHEMBL17964257 0.83 BRD4 (0.41) MIFDDB1CRBNPLA2G10PLA2G5
SCHEMBL17964332 0.80 BTK (0.33) MIFACHE

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.