SCHEMBL6232023

SCHEMBL6232023

COc1ccccc1OC(C)CC(CN)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CACNA2D1 P54289 2/20 0.47
CACNB3 P54284 1/20 0.47
CACNA1C Q13936 1/20 0.47
PGR P06401 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
CACNA2D2 Q9NY47 1/20 0.47
POLB P06746 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
PDE4A P27815 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
SCHEMBL14895535 1.00 KMT2A (0.50) KMT2AMTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL14895536 1.00 KMT2A (0.50) KMT2AMTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL1913722 1.00 KMT2A (0.50) KMT2AMTNR1AMTNR1BCACNA2D1CACNB3
SCHEMBL7410924 0.85 ALDH1A1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913744 0.85 CACNA2D1 (0.46) KMT2ACACNA2D1CACNB3CACNA1CPGR
SCHEMBL7410915 0.85 ALDH1A1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7418060 0.85 CACNA2D1 (0.46) KMT2ACACNA2D1CACNB3CACNA1CPGR
SCHEMBL6056389 0.85 CACNA2D1 (0.46) KMT2ACACNA2D1CACNB3CACNA1CPGR
SCHEMBL1913862 0.85 ALDH1A1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6056308 0.85 ALDH1A1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US claimed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US claimed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO claimed
CN-117045653-A Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-11-14 CN disclosed
CN-111135171-B Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-09-08 CN disclosed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed
EP-1515709-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER Warner-Lambert Company LLC (US) 2005-03-23 EP disclosed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
WO-2004002462-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING TTENTION DEFICIT HYPERACTIVITY DISORDER WARNER-LAMBERT COMPANY LLC (US) 2004-01-08 WO disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 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 (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-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT KMT2A 2643/4885MTNR1A 18/4885MTNR1B 11/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT KMT2A 2643/4885MTNR1A 18/4885MTNR1B 11/4885

“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.