SCHEMBL17418459

SCHEMBL17418459

CCOCCOCCC(=O)[O-].C[P+](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CA1 P00915 3/20 0.41
FFAR3 O14843 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
THRB P10828 1/20 0.38
BBOX1 O75936 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 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
Potassium Ion SCHEMBL4227430 0.91 ALDH1A1 (0.46) TSHRALDH1A1CA1FFAR3HDAC3
SCHEMBL17418333 0.89 CA1 (0.41) TSHRALDH1A1CA1FFAR3HDAC3
SCHEMBL17418520 0.88 ALDH1A1 (0.41) TSHRALDH1A1CA1FFAR3HDAC3
Tetramethylammonium Ion SCHEMBL17418982 0.88 ALDH1A1 (0.43) TSHRALDH1A1CA1FFAR3HDAC3
SCHEMBL10875511 0.87
SCHEMBL10548240 0.87 FFAR3 (0.48) TSHRALDH1A1CA1FFAR3HDAC3
SCHEMBL9641239 0.87 FFAR3 (0.48) TSHRALDH1A1CA1FFAR3HDAC3
SCHEMBL11204380 0.87 FFAR3 (0.48) TSHRALDH1A1CA1FFAR3HDAC3
SCHEMBL17418405 0.85 FFAR3 (0.40) TSHRALDH1A1CA1FFAR3HDAC3
SCHEMBL17418544 0.84 CA1 (0.37) TSHRALDH1A1CA1FFAR3HDAC3

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 TSHR 4776/4885ALDH1A1 4797/4885CA1 1524/4885
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method CEL, CROCC, ALG1 TSHR 4776/4885ALDH1A1 4797/4885CA1 1524/4885

“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.