SCHEMBL21040847

SCHEMBL21040847

CCC(=O)C1(C)COC(C)(C)OC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNA4 P22459 1/20 0.34
KCNA1 Q09470 1/20 0.34
KCNAB1 Q14722 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL13545068 0.83
SCHEMBL7733528 0.75 KCNA4 (0.37) ALDH1A1KCNA4KCNA1KCNAB1
SCHEMBL7643528 0.74 MGAM (0.43) ALDH1A1KCNA4KCNA1KCNAB1KDM4E
SCHEMBL1970312 0.74 KCNA4 (0.39) KCNA4KCNA1KCNAB1
SCHEMBL8025488 0.74
SCHEMBL42141 0.72 FFAR3 (0.52) KCNA4KCNA1KCNAB1
SCHEMBL7258460 0.72 KCNA4 (0.43) KCNA4KCNA1KCNAB1
SCHEMBL1972290 0.71 KCNA4 (0.32) ALDH1A1KCNA4KCNA1KCNAB1
SCHEMBL25672287 0.71 FFAR3 (0.31)
SCHEMBL7258643 0.70 KCNA4 (0.37) KCNA4KCNA1KCNAB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2021-09-30 US disclosed
WO-2019101929-A1 HYDROGEL COMPOSITION AND ITS USES LOEWENHIELM PETER (SE) 2019-05-31 WO 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-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs CNR1, CNR2, CHRND ALDH1A1 3979/4885TDP1 4769/4885KCNA4 1491/4885

“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.