SCHEMBL3828085

SCHEMBL3828085

COc1ccc(CCCCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CALM1 P0DP23 2/20 0.47
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
ALOX5 P09917 1/20 0.41
ORAI1 Q96D31 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40

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
SCHEMBL1171890 0.88 PREP (0.40) TDP1L3MBTL1CALM1IGF1RALOX15
SCHEMBL1629726 0.84 IGF1R (0.41) IGF1RALOX15TAAR1AGXT
SCHEMBL24799770 0.84 F2RL1 (0.54) ALDH1A1POLBALOX5
SCHEMBL1627173 0.83 DUT (0.40) ALDH1A1
SCHEMBL1627500 0.83 DUT (0.40) TDP1ALDH1A1
SCHEMBL27834052 0.83 DUT (0.40) TDP1L3MBTL1IDO1
SCHEMBL1627490 0.83 DUT (0.40) TDP1L3MBTL1IDO1
SCHEMBL12284225 0.83 DUT (0.40) L3MBTL1TAAR1ALDH1A1IDO1
SCHEMBL23668699 0.82 F2RL1 (0.55) CALM1ALDH1A1POLBALOX5
SCHEMBL17398452 0.82 IDO1 (0.47) TDP1L3MBTL1MAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540400-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-10 US disclosed
US-20160200736-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-07-14 US disclosed
US-9273069-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-03-01 US disclosed
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-08-13 US disclosed
US-9040517-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2015-05-26 US disclosed
US-20140378434-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-25 US disclosed
US-8859536-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-14 US disclosed
US-20140080809-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-03-20 US disclosed
US-8580992-B1 Compounds and methods of arylmethylation (benzylation) as protection for alcohol groups during chemical synthesis The Florida State University Research Foundation, Inc. (US) 2013-11-12 US disclosed
EP-1740225-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1740225-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005105159-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-10 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 (4 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-20160200736-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT TDP1 3321/4885L3MBTL1 1759/4885CALM1 4690/4885
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT TDP1 3321/4885L3MBTL1 1759/4885CALM1 4690/4885
US-20140378434-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT TDP1 3321/4885L3MBTL1 1759/4885CALM1 4690/4885
US-20140080809-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT TDP1 3321/4885L3MBTL1 1759/4885CALM1 4690/4885

“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.