SCHEMBL21983247

SCHEMBL21983247

C[N+](C)(C)CCC(O)CCC(=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.52
BBOX1 O75936 9/20 0.50
SLC22A16 Q86VW1 1/20 0.47
CA1 P00915 2/20 0.46
NFKB1 P19838 1/20 0.44
CA2 P00918 2/20 0.37
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ACHE P22303 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL27934794 0.81 SLC22A16 (0.65) BBOX1SLC22A16CA1NFKB1CA2
SCHEMBL3497626 0.74
SCHEMBL10912369 0.74 GPR84 (0.71) GPR84BBOX1CA1NFKB1CA2
SCHEMBL10908925 0.74 GPR84 (0.66) GPR84BBOX1CA1NFKB1CA2
Potassium Ion SCHEMBL10911436 0.74 GPR84 (0.66) GPR84BBOX1CA1NFKB1CA2
Tetramethylammonium Ion SCHEMBL11559920 0.73 GPR84 (0.86) GPR84CA1NFKB1CA2
SCHEMBL465409 0.71 BBOX1 (0.61) GPR84BBOX1SLC22A16CA1NFKB1
SCHEMBL10911206 0.71 GPR84 (0.62) GPR84BBOX1CA1NFKB1CA2
Potassium Ion SCHEMBL11688990 0.71 GPR84 (0.57) GPR84BBOX1SLC22A16CA1NFKB1
Potassium Ion SCHEMBL11729060 0.71 GPR84 (0.79) GPR84CA1NFKB1CA2FFAR3

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-10646508-B1 Method of safely administering nitrate dietary supplements and compositions THERMOLIFE INTERNATIONAL, LLC (US) 2020-05-12 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-10646508-B1 Method of safely administering nitrate dietary supplements and compositions NOS1, NOS2, NOS3 GPR84 3445/4885BBOX1 488/4885SLC22A16 284/4885

“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.