SCHEMBL19768599

SCHEMBL19768599

COC(=O)CC1CC[C@@H](CC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MIF P14174 6/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GAA P10253 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT1 O75907 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32

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
SCHEMBL17964257 1.00 BRD4 (0.41) BRD4CA12CA2CA14MIF
SCHEMBL17964241 0.94 BRD4 (0.39) BRD4CA12CA2CA14MIF
SCHEMBL19768594 0.94 BRD4 (0.39) BRD4CA12CA2CA14MIF
SCHEMBL9509126 0.88 BRD4 (0.44) BRD4MIFHDAC6GAAKMT2A
SCHEMBL17964284 0.87 MT-CO2 (0.34) MIFDDB1CRBNNFKB1NFKB2
SCHEMBL19768577 0.87 MT-CO2 (0.34) MIFDDB1CRBNNFKB1NFKB2
SCHEMBL19768574 0.83 MIF (0.32) MIFDDB1CRBNPLA2G10PLA2G5
SCHEMBL17964314 0.83 MIF (0.32) MIFDDB1CRBNPLA2G10PLA2G5
SCHEMBL19768591 0.81 FAAH (0.33) MIFDDB1CRBN
SCHEMBL17964290 0.81 FAAH (0.33) MIFDDB1CRBN

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 BRD4 1115/4885CA12 4155/4885CA2 3366/4885

“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.