SCHEMBL9936166

SCHEMBL9936166

CC(C)(C)OOC(=O)C(C)(C)COc1ncc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.35
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
FFAR1 O14842 1/20 0.31
SSTR4 P31391 1/20 0.31
GAA P10253 1/20 0.30
CYP2C9 P11712 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
SCHEMBL9935273 0.85 AAK1 (0.37) DGAT1AAK1FFAR1SSTR4GAA
SCHEMBL14880635 0.83 DGAT1 (0.43) DGAT1ALDH1A1AAK1FFAR1SSTR4
SCHEMBL21379541 0.72 RXRA (0.35) DGAT1ALDH1A1FFAR1GAA
SCHEMBL23660849 0.71 NUDT1 (0.38) FFAR1GAA
SCHEMBL3756950 0.71 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3179028 0.69 CCNB2 (0.38) DGAT1ALDH1A1TSHRHSD17B10AAK1
SCHEMBL19582928 0.69 RXRA (0.39) DGAT1GAA
SCHEMBL14880975 0.68 DGAT1 (0.38) DGAT1ALDH1A1FFAR1
SCHEMBL16660955 0.67 DGAT1 (0.46) DGAT1ALDH1A1AAK1
SCHEMBL374769 0.65 DGAT1 (0.58) DGAT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651915-B1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-25 EP disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
EP-2651915-A1 CONTINUOUS ARYCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-23 EP disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 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-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885ALDH1A1 425/4885TSHR 3445/4885

“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.