SCHEMBL9936852

SCHEMBL9936852

COc1ccc(COc2ccc(-c3ccc(-c4nc(C(=O)OCc5ccccc5)cn4COCC[Si](C)(C)C)cn3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 1.00
DHODH Q02127 2/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
PTGER4 P35408 1/20 0.40
ALKBH1 Q13686 1/20 0.40
FFAR1 O14842 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16660753 0.96 DGAT1 (1.00) DGAT1GABRB2MCL1
SCHEMBL18541097 0.90 DGAT1 (0.82) DGAT1PTGER4ALKBH1FFAR1MCL1
SCHEMBL18541103 0.85 DGAT1 (0.80) DGAT1GABRA2GABRB2
SCHEMBL16787677 0.85 DGAT1 (0.73) DGAT1DHODHPTGER4MEN1KMT2A
SCHEMBL15293975 0.83 DGAT1 (0.77) DGAT1GABRA2GABRB2KMT2A
SCHEMBL9936494 0.82 DGAT1 (0.69) DGAT1PTGER4ALKBH1
SCHEMBL9935301 0.81 DGAT1 (0.68) DGAT1PTGER4ALKBH1
SCHEMBL16660752 0.80 DGAT1 (0.71) DGAT1GABRA2GABRB2
SCHEMBL16787744 0.80 DGAT1 (0.66) DGAT1PTGER4ALKBH1
SCHEMBL15282957 0.79 DGAT1 (0.65) DGAT1PTGER4ALKBH1

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 25 patents — showing the first 20. 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-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US 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-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 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
US-9051248-B2 Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid BHI LIMITED PARTNERSHIP (CA) 2015-06-09 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
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US 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 (5 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 1688/4885DHODH 3020/4885GABRA2 1331/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885DHODH 3020/4885GABRA2 1331/4885
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885DHODH 398/4885GABRA2 4423/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 DGAT1 1688/4885DHODH 3020/4885GABRA2 1331/4885
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885DHODH 398/4885GABRA2 4423/4885

“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.