SCHEMBL23198596

SCHEMBL23198596

CC(C)(C)C(=O)OCCCSC#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH3A1 P30838 1/20 0.33
PRKCA P17252 1/20 0.33

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
SCHEMBL23198609 0.95 ALDH3A1 (0.38) POLBGAANPSR1ALDH3A1PRKCA
SCHEMBL23200650 0.83
SCHEMBL23200388 0.80 MEN1 (0.30)
SCHEMBL8557615 0.79 ALDH1A1 (0.48) GAAALDH3A1
SCHEMBL23200294 0.79 ALDH3A1 (0.35) ALDH3A1
SCHEMBL13686639 0.77 POLB (0.39) POLBGAANPSR1PRKCA
SCHEMBL7989588 0.76 POLB (0.46) POLBGAANPSR1PRKCA
SCHEMBL27819169 0.76 POLB (0.46) POLBGAANPSR1PRKCA
SCHEMBL17694459 0.76 MEN1 (0.43) POLBGAANPSR1PRKCA
SCHEMBL8310489 0.75 CYP4F2 (0.54) ALDH3A1

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-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 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-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 POLB 3968/4885GAA 796/4885NPSR1 377/4885

“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.