SCHEMBL3086685

SCHEMBL3086685

CCOC(=O)C=C[C@@]1(C(C)(C)C)COC(C)(C)N1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL2079714 0.69 PPM1D (0.33) L3MBTL1HCAR2
SCHEMBL22572683 0.66 HCAR2 (0.36) L3MBTL1HCAR2ALDH1A1MAPT
SCHEMBL22572682 0.66 HCAR2 (0.36) L3MBTL1HCAR2ALDH1A1MAPT
SCHEMBL1504150 0.66 L3MBTL1 (0.39) L3MBTL1HCAR2ALDH1A1MAPT
SCHEMBL1503807 0.66 L3MBTL1 (0.39) L3MBTL1HCAR2ALDH1A1MAPT
SCHEMBL1503810 0.66 L3MBTL1 (0.39) L3MBTL1HCAR2ALDH1A1MAPT
SCHEMBL1504156 0.66 L3MBTL1 (0.39) L3MBTL1HCAR2ALDH1A1MAPT
SCHEMBL5002684 0.65
SCHEMBL9597235 0.65 TSHR (0.38) L3MBTL1ALDH1A1
SCHEMBL17075099 0.65 HCAR2 (0.47) L3MBTL1HCAR2ALDH1A1MAPT

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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R L3MBTL1 309/4885HCAR2 879/4885ALDH1A1 3529/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R L3MBTL1 385/4885HCAR2 1086/4885ALDH1A1 3319/4885

“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.