SCHEMBL7210952

SCHEMBL7210952

CC(=O)OC1CCc2cc(O)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
ACHE P22303 4/20 0.50
DRD2 P14416 7/20 0.44
DRD3 P35462 7/20 0.44
DRD4 P21917 4/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
BRCA1 P38398 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 1/20 0.42
AKR1C3 P42330 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR2 Q92731 2/20 0.41

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
SCHEMBL629694 0.94 DRD3 (0.51) OPRK1CA1CA2ACHEDRD2
SCHEMBL30612403 0.81 MTNR1A (0.53) DRD2KMT2ATSHR
SCHEMBL9998852 0.80 DRD3 (0.47) OPRK1CA1CA2ACHEDRD2
SCHEMBL629488 0.77 MTNR1A (0.61) CA1CA2ACHEDRD2DRD3
SCHEMBL15961988 0.76 OPRK1 (0.56) OPRK1CA1CA2ACHEDRD2
SCHEMBL10263158 0.74 DRD3 (0.46) CA1CA2ACHEDRD2DRD3
SCHEMBL18983856 0.74 OPRK1 (0.47) OPRK1CA1CA2ACHEDRD2
SCHEMBL18983624 0.74 OPRK1 (0.43) OPRK1CA1CA2ACHEDRD2
SCHEMBL6206994 0.74 MAPK1 (0.53) DRD2MAPK1MEN1LMNACYP3A4
SCHEMBL23368675 0.73 SGPL1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 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 (1 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP OPRK1 303/4885CA1 3139/4885CA2 3174/4885

“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.