SCHEMBL829311

SCHEMBL829311

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 3/20 0.33
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
CES1 P23141 2/20 0.31
CES2 O00748 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
SCHEMBL2952504 0.90 CA1 (0.44) CYP3A4TSHRNFKB1NPSR1CA1
SCHEMBL5153152 0.86 TSHR (0.37) CYP3A4TSHRNFKB1NPSR1CA1
SCHEMBL3464732 0.85 CA1 (0.41) CYP3A4TSHRNFKB1NPSR1CA1
SCHEMBL1230198 0.85 CA1 (0.44) CYP3A4TSHRNFKB1NPSR1CA1
SCHEMBL2950012 0.84 CA2 (0.37) CYP3A4TSHRNFKB1NPSR1CA1
SCHEMBL9332532 0.83 CA1 (0.39) CYP3A4TSHRNFKB1NPSR1CA1
SCHEMBL5488621 0.80 CA1 (0.37) CA1CA2
SCHEMBL1230248 0.80 CA1 (0.37) CA1CA2
SCHEMBL1229384 0.80 CA1 (0.37) CA1CA2
SCHEMBL7631487 0.80 CA1 (0.41) CYP3A4TSHRNFKB1NPSR1CA1

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 7 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-20110228400-A1 Method for Manufacturing an Optical Article with Anti-Glare Properties ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQU E) (FR) 2011-09-22 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
EP-0051405-B1 ANTI-FOGGING COATING FILM TORAY INDUSTRIES, INC. (JP) 1985-01-30 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-20100144918-A1 Method for Preparing a Colloidal Zirconia Solution ZRANB2, NPM1, NAF1 CYP3A4 3819/4885TSHR 1472/4885NFKB1 2053/4885

“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.