SCHEMBL12858375

SCHEMBL12858375

CC1CCC(C(C)C)C(OC(=O)C2C3CCCCC32)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.59
ALDH1A1 P00352 9/20 0.48
HPGD P15428 2/20 0.48
CYP19A1 P11511 2/20 0.47
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TRPA1 O75762 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL19900259 0.85 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL31611450 0.85 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL1171507 0.84 EPHX1 (0.64) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL23256074 0.83 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL21610579 0.83 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL30078348 0.83 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL16194851 0.82 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL6387314 0.82 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL19900317 0.82 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TSHR
SCHEMBL19900196 0.81 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TSHR

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 10 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-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
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

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 EPHX1 2447/4885ALDH1A1 2962/4885HPGD 3326/4885
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP EPHX1 2529/4885ALDH1A1 4135/4885HPGD 4420/4885
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 EPHX1 3381/4885ALDH1A1 4054/4885HPGD 3897/4885
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 EPHX1 3289/4885ALDH1A1 3990/4885HPGD 3861/4885
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 EPHX1 2447/4885ALDH1A1 2962/4885HPGD 3326/4885

“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.