SCHEMBL16660955

SCHEMBL16660955

CC(C)(C)OC(=O)C(C)(C)COc1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.46
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
AAK1 Q2M2I8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SOAT1 P35610 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL374769 0.87 DGAT1 (0.58) DGAT1KDM4EL3MBTL1ALDH1A1
SCHEMBL16660881 0.84 DGAT1 (0.46) DGAT1KDM4EL3MBTL1CYP4F2CYP4A11
SCHEMBL16787910 0.84 KDM4E (0.45) DGAT1KDM4EL3MBTL1CYP4F2CYP4A11
SCHEMBL9935273 0.81 AAK1 (0.37) DGAT1AAK1
SCHEMBL23348624 0.79 KDM4E (0.50) DGAT1KDM4EALDH1A1
SCHEMBL16787912 0.78 DGAT1 (0.48) DGAT1AAK1
SCHEMBL1403884 0.77 KDM4E (0.43) DGAT1KDM4EL3MBTL1ALDH1A1
SCHEMBL9936564 0.75 DGAT1 (0.39) DGAT1AAK1SOAT1KCNH2
SCHEMBL16660956 0.75 DGAT1 (0.81) DGAT1AAK1
SCHEMBL30556450 0.74 DGAT1 (0.43) DGAT1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 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 (3 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885KDM4E 1080/4885L3MBTL1 894/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885KDM4E 1080/4885L3MBTL1 894/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885KDM4E 1080/4885L3MBTL1 894/4885

“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.