SCHEMBL4642556

SCHEMBL4642556

CCOC(=O)C[C@H]1CC2CC(C2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MIF P14174 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7642136 0.80 MGAM (0.33) MGAMGAASIMGAM2KMT2A
SCHEMBL7641127 0.78 KMT2A (0.34) MGAMGAASIMGAM2KMT2A
SCHEMBL3711207 0.72 HSD17B1 (0.36) MGAMGAASIMGAM2KMT2A
SCHEMBL16253741 0.71 ALDH1A1 (0.35) MGAMGAASIMGAM2KMT2A
SCHEMBL16250158 0.69 POLB (0.33) MGAMGAASIMGAM2KMT2A
SCHEMBL6345936 0.69 MAPT (0.41) MGAMGAASIMGAM2KMT2A
SCHEMBL8243047 0.69 KMT2A (0.41) MGAMGAASIMGAM2KMT2A
SCHEMBL22787488 0.68 HSD11B1 (0.53) MGAMGAASIMGAM2KMT2A
SCHEMBL3712186 0.68 SIRT5 (0.42) MGAMGAASIMGAM2KMT2A
SCHEMBL1254599 0.68 CYP2D6 (0.49) MGAMGAASIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193243-B1 NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL SHIONOGI & CO (JP) 2008-08-13 EP disclosed
EP-1808427-A2 Novel processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-07-18 EP disclosed
US-7214832-B2 Processes for the preparation of bicyclic aminoalcohols SHIONOGI & CO., LTD. (JP) 2007-05-08 US disclosed
US-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols HONMA TSUNETOSHI (JP) 2004-09-02 US disclosed
US-6723857-B1 NORPINONE TO ITS BENZOTHIOPHENE CARBOXAMIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-04-20 US disclosed
US-6465662-B1 OXIDIZING 2-HYDROXYETHYL-10 NORPINAN-3-YL)-2-AMINE AMIDES OF OXY-SUBSTITUTED BENZOTHIOPHENECARBOXYLIC ACIDS TO FORM ALDEHYDES IN THE PRESENCE OF 2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXYLS. SHIONOGI & CO., LTD. (JP) 2002-10-15 US disclosed
EP-1193243-A1 NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL SHIONOGI & CO., LTD. (JP) 2002-04-03 EP 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-20040171882-A1 Novel processes for the preparation of bicyclic aminoalcohols DOHH, OXER1, XDH MGAM 4094/4885GAA 4455/4885SI 4767/4885

“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.