SCHEMBL19768575

SCHEMBL19768575

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
BRD4 O60885 1/20 0.35
MIF P14174 6/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
EPHX1 P07099 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MLYCD O95822 1/20 0.30
DGAT1 O75907 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
SCHEMBL17964249 1.00 BTK (0.36) BTKBRD4MIFKMT2AL3MBTL1
SCHEMBL21540619 0.88 TSHR (0.34) BTKKMT2AL3MBTL1EPHX2ALDH1A1
SCHEMBL17964268 0.88 BTK (0.33) BTKMIFKMT2AL3MBTL1
SCHEMBL19768595 0.88 BTK (0.33) BTKMIFKMT2AL3MBTL1
SCHEMBL19768594 0.86 BRD4 (0.39) BTKBRD4MIFKMT2AL3MBTL1
SCHEMBL17964241 0.86 BRD4 (0.39) BTKBRD4MIFKMT2AL3MBTL1
SCHEMBL19768620 0.85 EPHX1 (0.33) BTKMIFKMT2AL3MBTL1EPHX1
SCHEMBL17964271 0.85 EPHX1 (0.33) BTKMIFKMT2AL3MBTL1EPHX1
SCHEMBL19768571 0.84 BTK (0.31) BTKMIFKMT2AL3MBTL1EPHX1
SCHEMBL17964240 0.84 BTK (0.31) BTKMIFKMT2AL3MBTL1EPHX1

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 BTK 1187/4885BRD4 1115/4885MIF 2261/4885

“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.