SCHEMBL17418445

SCHEMBL17418445

CCC[P+](CC)(CC)CCOCC.COCCOCCOCCC(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL17418648 1.00 CA2 (0.33) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418576 1.00 CA2 (0.33) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418733 0.94 CA2 (0.37) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418595 0.93 TSHR (0.33) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418172 0.93 TSHR (0.33) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418642 0.93 TSHR (0.33) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418893 0.87 FFAR3 (0.39) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418338 0.87 FFAR3 (0.39) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418355 0.87 FFAR3 (0.39) CA2CA1FFAR3HDAC3HDAC1
SCHEMBL17418812 0.87 ALDH1A1 (0.37) 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 1524/4885FFAR3 3525/4885
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method CEL, CROCC, ALG1 CA2 89/4885CA1 1524/4885FFAR3 3525/4885

“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.