SCHEMBL2407046

SCHEMBL2407046

CCP(=O)([O-])CC(C)C(=O)[O-].CCP(=O)([O-])CC(C)C(=O)[O-].[Ti+4]

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL2403997 0.79 SMN1; SMN2 (0.32) CA1TSHR
SCHEMBL2511727 0.75 TRPM8 (0.38)
SCHEMBL2244433 0.72 TSHR (0.36) TSHR
SCHEMBL29156036 0.70 TRPM8 (0.38)
SCHEMBL18245670 0.70 TRPM8 (0.38)
SCHEMBL29035583 0.69 CA1 (0.52) CA1CYP3A4TSHRNFKB1NPSR1
SCHEMBL1314711 0.69 FFAR3 (0.36) CA1
SCHEMBL2409016 0.68 GABBR2 (0.31)
SCHEMBL753508 0.68 TSHR (0.33) TSHR
SCHEMBL31303934 0.66 TSHR (0.32) TSHR

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-8735477-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US disclosed
US-20110213060-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 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 (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-20110213060-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, SCO2 CA1 199/4885CYP3A4 1435/4885TSHR 532/4885

“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.