SCHEMBL17418595

SCHEMBL17418595

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 2/20 0.32
FOLH1 Q04609 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
THRB P10828 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
SCHEMBL17418172 1.00 TSHR (0.33) TSHRALDH1A1CA2CA1FOLH1
SCHEMBL17418642 1.00 TSHR (0.33) TSHRALDH1A1CA2CA1FOLH1
SCHEMBL17418812 0.94 ALDH1A1 (0.37) TSHRALDH1A1CA2CA1FOLH1
SCHEMBL17418576 0.93 CA2 (0.33) TSHRALDH1A1CA2CA1FFAR3
SCHEMBL17418648 0.93 CA2 (0.33) TSHRALDH1A1CA2CA1FFAR3
SCHEMBL17418445 0.93 CA2 (0.33) TSHRALDH1A1CA2CA1FFAR3
SCHEMBL17418711 0.87 FFAR3 (0.37) ALDH1A1CA2CA1FOLH1FFAR3
SCHEMBL17419002 0.87 FFAR3 (0.37) ALDH1A1CA2CA1FOLH1FFAR3
SCHEMBL17418479 0.87 FFAR3 (0.37) ALDH1A1CA2CA1FOLH1FFAR3
SCHEMBL17418226 0.87 CA1 (0.34) TSHRALDH1A1CA2CA1FOLH1

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 4797/4885CA2 89/4885
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method CEL, CROCC, ALG1 TSHR 4776/4885ALDH1A1 4797/4885CA2 89/4885

“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.