SCHEMBL649683

SCHEMBL649683

CCc1cccc(CC)c1C([O])=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.54
GABRB2 P47870 4/20 0.54
CLCN2 P51788 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38

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
SCHEMBL501450 0.87 GABRA1 (0.46) GABRA1GABRB2CA12CA1CA2
SCHEMBL11750664 0.82 GABRA1 (0.56) GABRA1GABRB2CLCN2CA12CA1
SCHEMBL423306 0.80 GABRA1 (0.54) GABRA1GABRB2CLCN2CA12CA1
SCHEMBL16414537 0.80 GABRA1 (0.54) GABRA1GABRB2CLCN2CA12CA1
SCHEMBL9712914 0.78 GABRA1 (0.52) GABRA1GABRB2CLCN2CA12CA1
SCHEMBL9712566 0.78 GABRA1 (0.52) GABRA1GABRB2CLCN2CA12CA1
SCHEMBL580709 0.78 GABRA1 (0.52) GABRA1GABRB2CLCN2CA12CA1
SCHEMBL18378584 0.77 GABRA1 (0.56) GABRA1GABRB2CLCN2CA12CA1
Nitrogen SCHEMBL10979876 0.76 GABRA1 (0.50) GABRA1GABRB2CLCN2CA12CA1
Hydrochloric Acid SCHEMBL5013100 0.76 GABRA1 (0.50) GABRA1GABRB2CLCN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252862-B2 Silane coupling agents for filled rubbers BASF SE (DE) 2012-08-28 US disclosed
US-8119710-B2 Filled rubber compounds with improved processability BASF SE (DE) 2012-02-21 US disclosed
EP-2190912-B1 SILANE COUPLING AGENTS FOR FILLED RUBBERS BASF SE (DE) 2011-11-23 EP disclosed
US-20100317778-A1 Filled Rubber Compounds with Improved Processability CIBA CORPORATION 2010-12-16 US disclosed
US-20100261826-A1 SILANE COUPLING AGENTS FOR FILLED RUBBERS BASF SE (DE) 2010-10-14 US disclosed
EP-2190912-A1 SILANE COUPLING AGENTS FOR FILLED RUBBERS BASF SE (DE) 2010-06-02 EP disclosed
US-7723409-B2 Coupling agents between filler and elastomer CIBA SPECIALTY CHEM. CORP. (US) 2010-05-25 US disclosed
EP-1727858-B1 COUPLING AGENTS BETWEEN FILLER AND ELASTOMER BASF SE (DE) 2009-09-16 EP disclosed
WO-2009034016-A1 SILANE COUPLING AGENTS FOR FILLED RUBBERS BASF SE (CH) 2009-03-19 WO disclosed
US-20080287578-A1 Coupling Agents Between Filler and Elastomer CIBA SPECIALTY CHEMICALS CORP. 2008-11-20 US disclosed
EP-1928888-A1 FILLED RUBBER COMPOUNDS WITH IMPROVED PROCESSABILITY Ciba Holding Inc. (CH) 2008-06-11 EP disclosed
WO-2007039416-A1 FILLED RUBBER COMPOUNDS WITH IMPROVED PROCESSABILITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-12 WO disclosed
EP-1727858-A1 COUPLING AGENTS BETWEEN FILLER AND ELASTOMER Ciba Specialty Chemicals Holding Inc. (CH) 2006-12-06 EP disclosed
WO-2005059022-A1 COUPLING AGENTS BETWEEN FILLER AND ELASTOMER CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-30 WO disclosed
US-6521681-B1 Phenol-free stabilization of polyolefin fibres CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-18 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 (2 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-20100317778-A1 Filled Rubber Compounds with Improved Processability RER1, RIF1, REV1 GABRA1 3665/4885GABRB2 4440/4885CLCN2 4510/4885
US-20100261826-A1 SILANE COUPLING AGENTS FOR FILLED RUBBERS RER1, REV1, RIOX2 GABRA1 3569/4885GABRB2 4469/4885CLCN2 4228/4885

“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.