SCHEMBL6873135

SCHEMBL6873135

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
MYB P10242 1/20 0.33
GRM2 Q14416 1/20 0.32
EPHX2 P34913 1/20 0.31
GAA P10253 1/20 0.31
HIF1A Q16665 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 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
SCHEMBL12901558 0.89 GABBR2 (0.37) GABBR2GABBR1GRM2
SCHEMBL2612420 0.87 GABBR2 (0.41) GABBR2GABBR1GAAALDH1A1HPGD
SCHEMBL12901560 0.87 GRM2 (0.39) GABBR2GABBR1GRM2GAA
SCHEMBL10135359 0.85 GABBR2 (0.34) GABBR2GABBR1
SCHEMBL1232621 0.85 GAA (0.42) GABBR2GABBR1GAAALDH1A1HPGD
SCHEMBL29478047 0.84 GABBR2 (0.41) KIF11GABBR2GABBR1GAAALDH1A1
SCHEMBL493693 0.84 GABBR2 (0.41) KIF11GABBR2GABBR1GAAALDH1A1
SCHEMBL12901626 0.84 GABBR2 (0.39) GABBR2GABBR1GAAALDH1A1HPGD
SCHEMBL30132965 0.84 GABBR2 (0.41) KIF11GABBR2GABBR1GAAALDH1A1
SCHEMBL6871678 0.84 GABBR2 (0.41) KIF11GABBR2GABBR1GAAALDH1A1

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
EP-2464739-B1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2016-01-13 EP disclosed
US-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 US disclosed
WO-2011018472-A2 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2011-02-17 WO disclosed
US-6809208-B2 OXIDATION, HEAT AND LIGHT RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-26 US disclosed
US-20030212170-A1 3-Arylbenzofuranones with electron-withdrawing substituents as stabilizers CIBA SPECIALTY CHEMICALS CORP. 2003-11-13 US disclosed
EP-1263860-A1 NEW 3-ARYLBENZOFURANONES WITH ELECTRON-WITHDRAWING SUBSTITUENTS AS STABILIZERS Ciba SC Holding AG (CH) 2002-12-11 EP disclosed
WO-2001059000-A1 NEW 3-ARYLBENZOFURANONES WITH ELECTRON-WITHDRAWING SUBSTITUENTS AS STABILIZERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-16 WO 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-20030212170-A1 3-Arylbenzofuranones with electron-withdrawing substituents as stabilizers CYP1B1, ALDH1A1, CYP1A1 KIF11 2255/4885GABBR2 2286/4885GABBR1 1424/4885

“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.