SCHEMBL5069666

SCHEMBL5069666

CC(C)(C)c1cccc(I)c1C(C)(C)C.COP(=O)(O)OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
PTPN5 P54829 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
Diethyl Hydrogen Phosphate SCHEMBL5069693 0.84 NPSR1 (0.35) CA2NPSR1GABRA1GABRB2PTPN5
SCHEMBL1285882 0.81 CA2 (0.46) CA2NPSR1GABRA1GABRB2ALDH1A1
SCHEMBL29688753 0.81 CA2 (0.46) CA2NPSR1GABRA1GABRB2ALDH1A1
Hydrochloric Acid SCHEMBL5073192 0.79 CA2 (0.44) CA2NPSR1GABRA1GABRB2ALDH1A1
Methanesulfonic Acid Methyl Ester SCHEMBL5073212 0.78 CA2 (0.34) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6544073 0.77 CA2 (0.41) CA2NPSR1GABRA1GABRB2ALDH1A1
Malonic Acid SCHEMBL29009140 0.74 RBP4 (0.40) CA2NPSR1GABRA1GABRB2ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL1286190 0.73 CA2 (0.37) CA2GABRA1GABRB2PTPN5ALDH1A1
Dichloroacetic Acid SCHEMBL6037446 0.73 CA2 (0.37) CA2NPSR1GABRA1GABRB2ALDH1A1
SCHEMBL15352129 0.72 CA2 (0.39) CA2NPSR1GABRA1GABRB2PTPN5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335787-B2 Method for producing onium salt derivatives, and novel onium salt derivatives TOYO GOSEI KOGYO CO., LTD. (JP) 2008-02-26 US disclosed
US-20050176982-A1 Method for producing onium salt derivatives, and novel onium salt derivatives TOYO GOSEI KOGYO CO., LTD. (JP) 2005-08-11 US disclosed
US-6620957-B1 Process for producing onium salt derivative and novel onium salt derivative TOYO GOSEI KOGYO CO., LTD. (JP) 2003-09-16 US disclosed
EP-1164127-A1 PROCESS FOR PRODUCING ONIUM SALT DERIVATIVE AND NOVEL ONIUM SALT DERIVATIVE Toyo Gosei Kogyo Co., Ltd. (JP) 2001-12-19 EP 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 (1 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-20050176982-A1 Method for producing onium salt derivatives, and novel onium salt derivatives STS, NANS, GRIK5 CA2 6/4885NPSR1 1269/4885GABRA1 520/4885

“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.