SCHEMBL1892966

SCHEMBL1892966

O=C(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[MgH2]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.34
OR51E2 Q9H255 1/20 0.32
PRKCA P17252 1/20 0.32

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
SCHEMBL3810811 0.98 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL1403805 0.98 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL7170688 0.98 PDE4A (0.52) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL5073736 0.94 PDE4A (0.48) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL5139535 0.93 PDE4A (0.46) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL2123186 0.91 PDE4A (0.45) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL1032576 0.89 ALDH1A1 (0.40) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL16894036 0.84 ALDH1A1 (0.42) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL23414124 0.82 PDE4A (0.45) PDE4ALMNAL3MBTL1USP2SLCO1B1
SCHEMBL23414140 0.82 PDE4A (0.45) PDE4ALMNAL3MBTL1USP2SLCO1B1

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
WO-2017029353-A1 TREATMENT OF BEHAVIORS IN DEMENTIA PATIENTS TRANSITION THERAPEUTICS IRELAND LIMITED (IE) 2017-02-23 WO disclosed
US-20140135403-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2014-05-15 US disclosed
EP-2656839-A1 Use of Cyclohexanehexol Derivatives in the Treatment of Ocular Diseases Waratah Pharmaceuticals, Inc. (CA) 2013-10-30 EP disclosed
EP-2148667-B1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES WARATAH PHARMACEUTICALS INC (CA) 2013-05-22 EP disclosed
US-20110105626-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES FOR THE TREATMENT OF POLYGLUTAMINE DISEASES MCLAURIN JOANNE 2011-05-05 US disclosed
US-20100331267-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF ALPHA-SYNUCLEINOPATHIES MCLAURIN JOANNE 2010-12-30 US disclosed
US-20100168250-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASE WARATAH PHARMACEUTICALS INC. (CA) 2010-07-01 US disclosed
US-20100144891-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS MCLAURIN JOANNE 2010-06-10 US disclosed
EP-2148667-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES Waratah Pharmaceuticals, Inc. (CA) 2010-02-03 EP disclosed
WO-2008124940-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2008-10-23 WO disclosed
WO-2008124931-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS MCLAURIN JOANNE (CA) 2008-10-23 WO disclosed
WO-2008124930-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES FOR THE TREATMENT OF POLYGLUTAMINE DISEASES MCLAURIN JOANNE (CA) 2008-10-23 WO disclosed
WO-2008124929-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF α-SYNUCLEINOPATHIES MCLAURIN JOANNE (CA) 2008-10-23 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 (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-20100331267-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF ALPHA-SYNUCLEINOPATHIES SNCA, PARK7, PMP22 PDE4A 3538/4885LMNA 2167/4885L3MBTL1 4248/4885
US-20110105626-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES FOR THE TREATMENT OF POLYGLUTAMINE DISEASES CDR2, HYPK, HTT PDE4A 2952/4885LMNA 2646/4885L3MBTL1 3304/4885
US-20100168250-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASE APP, IAPP, TTR PDE4A 3769/4885LMNA 2340/4885L3MBTL1 4151/4885
US-20140135403-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES APP, IAPP, TTR PDE4A 3853/4885LMNA 2073/4885L3MBTL1 4175/4885
US-20100144891-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SOD1, SOD3, SMN1; SMN2 PDE4A 4746/4885LMNA 2018/4885L3MBTL1 1166/4885

“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.