SCHEMBL23200526

SCHEMBL23200526

CC(C)(C)C(=O)OCCCCO[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA9 Q16790 4/20 0.43
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
PRKCA P17252 2/20 0.33
ESR2 Q92731 2/20 0.33
TTPA P49638 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
SCHEMBL15503343 0.89 NPSR1 (0.38) PTGS2CA12CA1CA2CA4
SCHEMBL27819169 0.82 POLB (0.46) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL29049106 0.80 POLB (0.44) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL2547168 0.79 PTGS2 (0.54) PTGS2CA12CA1CA2CA4
SCHEMBL16914691 0.78 CA12 (0.49) PTGS2CA12CA1CA2CA4
SCHEMBL7989588 0.77 POLB (0.46) POLBGAANPSR1ALDH1A1PRKCA
SCHEMBL3651730 0.77 PTGS2 (0.52) PTGS2CA12CA1CA2CA4
SCHEMBL3649974 0.77 PTGS2 (0.52) PTGS2CA12CA1CA2CA4
SCHEMBL3649023 0.77 PTGS2 (0.52) PTGS2CA12CA1CA2CA4
SCHEMBL10157919 0.76 PTGS2 (0.34) PTGS2CA12CA1CA2CA4

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 PTGS2 629/4885CA12 2982/4885CA1 3001/4885

“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.