SCHEMBL17419002

SCHEMBL17419002

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
CA2 P00918 3/20 0.34
CA1 P00915 3/20 0.33
FOLH1 Q04609 1/20 0.32
BBOX1 O75936 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ABCB11 O95342 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2B P18089 1/20 0.30
OPRD1 P41143 1/20 0.30
SCN5A Q14524 1/20 0.30
NFKB1 P19838 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
SCHEMBL17418479 1.00 FFAR3 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418711 1.00 FFAR3 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418172 0.87 TSHR (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418595 0.87 TSHR (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418642 0.87 TSHR (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418520 0.87 ALDH1A1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418662 0.86 CA1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418960 0.86 CA1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418427 0.86 CA1 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
Zinc Ion SCHEMBL3795898 0.86 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8

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 FFAR3 3525/4885HDAC3 1342/4885HDAC1 1045/4885
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method CEL, CROCC, ALG1 FFAR3 3525/4885HDAC3 1342/4885HDAC1 1045/4885

“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.