SCHEMBL17418671

SCHEMBL17418671

CCCC[P+](CCCC)(CCCC)CCCC.COCCOCCOCCC(=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.45
CA1 P00915 2/20 0.41
NFKB1 P19838 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
DNM1 Q05193 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
FABP3 P05413 2/20 0.34

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
SCHEMBL17418345 1.00 CA2 (0.45) CA2CA1NFKB1GPR84FFAR3
SCHEMBL17418292 1.00 CA2 (0.45) CA2CA1NFKB1GPR84FFAR3
SCHEMBL17418338 0.90 FFAR3 (0.39) CA2CA1NFKB1GPR84FFAR3
SCHEMBL17418355 0.90 FFAR3 (0.39) CA2CA1NFKB1GPR84FFAR3
SCHEMBL17418893 0.90 FFAR3 (0.39) CA2CA1NFKB1GPR84FFAR3
SCHEMBL17418225 0.89 CA2 (0.46) CA2CA1NFKB1GPR84FFAR3
SCHEMBL17418479 0.83 FFAR3 (0.37) CA2CA1NFKB1FFAR3HDAC3
SCHEMBL17419002 0.83 FFAR3 (0.37) CA2CA1NFKB1FFAR3HDAC3
SCHEMBL17418711 0.83 FFAR3 (0.37) CA2CA1NFKB1FFAR3HDAC3
SCHEMBL17418662 0.81 CA1 (0.41) CA2CA1FFAR3HDAC3HDAC1

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-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method KOEI CHEMICAL COMPANY, LIMITED (JP) 2018-10-02 US disclosed
US-20160009669-A1 ONIUM SALT, LIQUID COMPOSITION CONTAINING SAID ONIUM SALT AND CELLULOSE, AND CELLULOSE RECOVERY METHOD KOEI CHEMICAL COMPANY, LIMITED (JP) 2016-01-14 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 (2 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-20160009669-A1 ONIUM SALT, LIQUID COMPOSITION CONTAINING SAID ONIUM SALT AND CELLULOSE, AND CELLULOSE RECOVERY METHOD CEL, CROCC, ALG1 CA2 89/4885CA1 1524/4885NFKB1 1854/4885
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method CEL, CROCC, ALG1 CA2 89/4885CA1 1524/4885NFKB1 1854/4885

“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.