SCHEMBL17418552

SCHEMBL17418552

COCCOCCOCCC(=O)[O-].COCCOCC[N+](C)(C)CCOC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 13/20 0.38
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL17418609 1.00 BBOX1 (0.38) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17418926 1.00 BBOX1 (0.38) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17418350 0.98 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17418767 0.98 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17419074 0.98 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17418166 0.94 BBOX1 (0.38) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17418413 0.92 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17418586 0.92 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17418491 0.92 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL17418362 0.92 BBOX1 (0.39) BBOX1FFAR3HDAC3HDAC1HDAC2

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 BBOX1 3843/4885FFAR3 3525/4885HDAC3 1342/4885
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method CEL, CROCC, ALG1 BBOX1 3843/4885FFAR3 3525/4885HDAC3 1342/4885

“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.