SCHEMBL7413309

SCHEMBL7413309

COc1cc(CN2CCOCC2)cc(C=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 1/20 0.54
ERN1 O75460 8/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10899727 0.86 GAA (0.71) GAAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL9813087 0.83 GAA (0.50) GAAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL18161774 0.83 MAPT (0.52) GAAMAPTLMNAERN1SMN1; SMN2
SCHEMBL15155737 0.82 HTT (0.61) HTTSMN1; SMN2ALDH1A1
SCHEMBL16243189 0.82 HTT (0.65) HTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL16119943 0.81 ERN1 (0.53) GAAMAPTLMNAERN1KDM4E
SCHEMBL24784688 0.80 FKBP1A (0.55) GAAMAPTLMNAERN1HTT
SCHEMBL3659593 0.77 ERN1 (0.49) GAAMAPTLMNAERN1SMN1; SMN2
SCHEMBL3103923 0.77 GAA (0.53) GAAMAPTLMNAHTTSMN1; SMN2
SCHEMBL20462857 0.77 ERN1 (0.49) GAAMAPTLMNAERN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-5021436-A Antiulcer, anticoagulant, antiischaemic agent BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1991-06-04 US disclosed
US-4999362-A Hypotensive, Antiulcer, Cytoprotective, Antithrombotic Agents BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-03-12 US disclosed
EP-0233228-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-08-26 EP disclosed
WO-1987000836-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1987-02-12 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 (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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 GAA 210/4885MAPT 2110/4885LMNA 1922/4885

“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.