SCHEMBL1681776

SCHEMBL1681776

O=C1CCCC(O)C1(O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 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
SCHEMBL7149090 1.00 LMNA (0.31) LMNATSHRMEN1ALDH1A1CYP3A4
SCHEMBL29070637 0.85
SCHEMBL30198804 0.74 MEN1 (0.33) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL10738039 0.74 MEN1 (0.36) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL2543405 0.74 MEN1 (0.36) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL4959097 0.73
SCHEMBL9053292 0.68 MEN1 (0.32) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL9052184 0.68 MEN1 (0.32) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL368962 0.67
SCHEMBL15533578 0.67 MEN1 (0.30) MEN1ALDH1A1CYP3A4KMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608350-A1 METHODS OF PREVENTING, TREATING AND DIAGNOSING DISORDERS OF PROTEIN AGGREGATION Ellipsis Biotherapeutics Corporation (CA) 2005-12-28 EP claimed
US-20040204387-A1 administering to subject a pharmaceutically effective amount of inositol stereoisomers, enantiomers or derivatives thereof; for treating or preventing condition of central or peripheral nervous system or systemic organ associated with a disorder in protein folding or aggregation, or amyloid formation MCLAURIN JOANNE (CA) 2004-10-14 US claimed
WO-2004075882-A1 METHODS OF PREVENTING, TREATING AND DIAGNOSING DISORDERS OF PROTEIN AGGREGATION ELLIPSIS BIOTHERAPEUTICS CORPORATION (CA) 2004-09-10 WO claimed
EP-1151125-A4 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE UNIV MICHIGAN STATE (US) 2003-04-23 EP claimed
US-20020142409-A1 Biocatalytic synthesis of quinic acid and conversion to hydroquinone NATIONAL SCIENCE FOUNDATION 2002-10-03 US claimed
EP-1151125-A1 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE Board of Trustees operating Michigan State University (US) 2001-11-07 EP claimed
WO-2000044924-A1 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2000-08-03 WO claimed
US-9833420-B2 Methods of preventing, treating, and diagnosing disorders of protein aggregation MCLAURIN JOANNE (CA) 2017-12-05 US disclosed
US-20150164821-A1 METHODS OF PREVENTING, TREATING, AND DIAGNOSING DISORDERS OF PROTEIN AGGREGATION MCLAURIN JOANNE (CA) 2015-06-18 US disclosed
US-20150031776-A1 METHOD OF PREVENTING, TREATING AND DIAGNOSING DISORDERS OF PROTEIN AGGREGATION MCLAURIN JOANNE (CA) 2015-01-29 US disclosed
EP-2823813-A1 Methods of preventing, treating and diagnosing disorders of protein aggregation McLaurin, Joanne (CA) 2015-01-14 EP disclosed
US-8859628-B2 Method for preventing, treating and diagnosing disorders of protein aggregation MCLAURIN JOANNE (CA) 2014-10-14 US disclosed
US-20140073701-A1 METHODS OF PREVENTING, TREATING AND DIAGNOSING DISORDERS OF PROTEIN AGGREGATION MCLAURIN JOANNE (CA) 2014-03-13 US disclosed
US-20030203460-A1 Biocatalytic synthesis of quinic acid and conversion to hydroquinone NATIONAL SCIENCE FOUNDATION 2003-10-30 US disclosed
US-6620602-B2 Generation of hydroquinone and derivatives; obtain quinic acid, oxidize to 3,4,5-trihydroxycyclohexanone, convert 3,4,5-trihydroxycyclohexanone to hydroquinone BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-09-16 US disclosed
US-6600077-B1 Biocatalytic synthesis of quinic acid and conversion to hydroquinone BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-07-29 US disclosed
EP-1151125-A4 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE UNIV MICHIGAN STATE (US) 2003-04-23 EP disclosed
US-20020142409-A1 Biocatalytic synthesis of quinic acid and conversion to hydroquinone NATIONAL SCIENCE FOUNDATION 2002-10-03 US disclosed
EP-1151125-A1 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE Board of Trustees operating Michigan State University (US) 2001-11-07 EP disclosed
WO-2000044924-A1 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2000-08-03 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 (4 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-20040204387-A1 administering to subject a pharmaceutically effective amount of inositol stereoisomers, enantiomers or derivatives thereof; for treating or preventing condition of central or peripheral nervous system or systemic organ associated with a disorder in protein folding or aggregation, or amyloid formation IAPP, PLPBP, PPIP5K2 LMNA 1507/4885TSHR 2748/4885MEN1 842/4885
US-20150164821-A1 METHODS OF PREVENTING, TREATING, AND DIAGNOSING DISORDERS OF PROTEIN AGGREGATION TTR, APP, IAPP LMNA 499/4885TSHR 3386/4885MEN1 1751/4885
US-20150031776-A1 METHOD OF PREVENTING, TREATING AND DIAGNOSING DISORDERS OF PROTEIN AGGREGATION TTR, IAPP, APP LMNA 561/4885TSHR 3315/4885MEN1 1553/4885
US-20140073701-A1 METHODS OF PREVENTING, TREATING AND DIAGNOSING DISORDERS OF PROTEIN AGGREGATION TTR, IAPP, PRNP LMNA 496/4885TSHR 3399/4885MEN1 1557/4885

“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.