SCHEMBL829312

SCHEMBL829312

CCC(=O)CC(=O)[O-].CCC[O-].CCC[O-].[Al+3]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR3 O14843 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
CA1 P00915 1/20 0.36
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 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
SCHEMBL28256671 0.90 CA4 (0.45) CA4TDP1FFAR3HDAC3HDAC1
SCHEMBL3802494 0.90 CA4 (0.50) CA4TDP1FFAR3HDAC3HDAC1
SCHEMBL6552536 0.89 CA1 (0.41) CA4TDP1FFAR3HDAC3HDAC1
SCHEMBL9332540 0.87 CA4 (0.47) CA4TDP1FFAR3HDAC3HDAC1
Lithium Ion SCHEMBL25252562 0.85
SCHEMBL5143342 0.85
SCHEMBL125102 0.85 CA4 (0.50) CA4TDP1FFAR3HDAC3HDAC1
Zinc Ion SCHEMBL17459908 0.85 CA4 (0.50) CA4TDP1FFAR3HDAC3HDAC1
SCHEMBL22398809 0.85 CA4 (0.50) CA4TDP1FFAR3HDAC3HDAC1
SCHEMBL8225486 0.85 CA4 (0.50) CA4TDP1FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337788-B2 Method for preparing a colloidal zirconia solution ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2012-12-25 US disclosed
US-8142896-B2 Optical article comprising a multilayer anti-reflective coating and method of production thereof ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2012-03-27 US disclosed
US-20100144918-A1 Method for Preparing a Colloidal Zirconia Solution ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE (FR) 2010-06-10 US disclosed
US-20100033824-A1 Optical Article Comprising a Multilayer Anti-Reflective Coating and Method Of Production Thereof ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2010-02-11 US disclosed
US-20060275627-A1 Optical article comprising a multilayer anti-reflective coating and method for production thereof ESSILOR INTERNATIONAL COMPAGNIE GENERALE D' OPTIQU (FR) 2006-12-07 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-20100144918-A1 Method for Preparing a Colloidal Zirconia Solution ZRANB2, NPM1, NAF1 CA4 130/4885TDP1 3634/4885FFAR3 2803/4885

“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.