SCHEMBL9683163

SCHEMBL9683163

CC1CC(C(=O)O)CC(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
CYP2C19 P33261 3/20 0.39
GABRR1 P24046 1/20 0.39
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 3/20 0.37
ALOX15 P16050 3/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ACE P12821 1/20 0.37
TSHR P16473 2/20 0.36
PMP22 Q01453 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL4919619 0.97
SCHEMBL1067196 0.97
SCHEMBL12385979 0.97
SCHEMBL6809952 0.94 APLNR (0.42) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL1888152 0.94 APLNR (0.42) APLNRCYP2C19GABRR1CYP2D6CYP1A2
Lithium SCHEMBL8041363 0.94
SCHEMBL3384406 0.94 APLNR (0.42) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL4864612 0.94 APLNR (0.42) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL21057278 0.85 APLNR (0.41) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL21082026 0.85 APLNR (0.41) APLNRCYP2C19GABRR1CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence WARATAH PHARMACEUTICALS INC. (CA) 2014-06-05 US disclosed
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence WARATAH PHARMACEUTICALS INC. (CA) 2014-06-05 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20100105631-A1 Inositol Compounds and Uses of Same in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation or Amyloid Formation, Desposition, Accumulation or Persistence WARATAH PHARMACEUTICALS INC. 2010-04-29 US disclosed
US-20090170957-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE WARATAH PHARMACEUTICALS INC. (CA) 2009-07-02 US disclosed
US-20090170957-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE WARATAH PHARMACEUTICALS INC. (CA) 2009-07-02 US disclosed
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 WO disclosed
WO-2007119108-A2 INOSITOL DERIVATIVES AND THEIR USES IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE WARATAH PHARMACEUTICALS INC. (US) 2007-10-25 WO disclosed
US-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence WARATAH PHARMACEUTICALS INC. (CA) 2007-05-17 US disclosed
US-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence WARATAH PHARMACEUTICALS INC. (CA) 2007-05-17 US disclosed
WO-2007041855-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERISED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE WARATAH PHARMACEUTICALS, INC. (CA) 2007-04-19 WO disclosed
US-5096959-A Esterifying resin with cyclopentane- and cyclohexane dicarboxylic acids THE VALSPAR CORPORATION (US) 1992-03-17 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 (5 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-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence SCLY, SMOX, SMS APLNR 3044/4885CYP2C19 4762/4885GABRR1 2575/4885
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP APLNR 1449/4885CYP2C19 4879/4885GABRR1 1339/4885
US-20090170957-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE SCLY, SCO2, SGMS2 APLNR 2899/4885CYP2C19 4515/4885GABRR1 3262/4885
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence SCLY, SCO2, SGMS2 APLNR 2831/4885CYP2C19 4502/4885GABRR1 3293/4885
US-20100105631-A1 Inositol Compounds and Uses of Same in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation or Amyloid Formation, Desposition, Accumulation or Persistence SCLY, SMOX, SMS APLNR 3044/4885CYP2C19 4762/4885GABRR1 2575/4885

“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.