SCHEMBL1748014

SCHEMBL1748014

Cc1ccc2oc(Nc3ccc(-c4ccc(C(=O)C5CCCCC5(CC[Si](C)(C)C)C(=O)O)cc4)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.44
DGAT1 O75907 1/20 0.42
ROCK1 Q13464 1/20 0.40
IL6 P05231 1/20 0.39
STAT3 P40763 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GALK1 P51570 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
AGTR1 P30556 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL1748013 0.89 HDAC6 (0.44) HDAC6DGAT1ROCK1IL6STAT3
Bicarbonate SCHEMBL2309633 0.80 HDAC6 (0.55) HDAC6DGAT1ROCK1IL6STAT3
Bicarbonate SCHEMBL2307865 0.79 HDAC6 (0.54) HDAC6DGAT1ROCK1IL6STAT3
SCHEMBL1748113 0.78 HDAC6 (0.53) HDAC6DGAT1ROCK1HDAC3HDAC1
SCHEMBL1748115 0.78 HDAC6 (0.53) HDAC6DGAT1ROCK1HDAC3HDAC1
SCHEMBL1748114 0.78 HDAC6 (0.53) HDAC6DGAT1ROCK1HDAC3HDAC1
SCHEMBL6031677 0.78 HDAC6 (0.53) HDAC6DGAT1ROCK1HDAC3HDAC1
SCHEMBL12266065 0.77 HDAC6 (0.46) HDAC6DGAT1ROCK1IL6STAT3
SCHEMBL2313853 0.76 HDAC6 (0.53) HDAC6DGAT1ROCK1HDAC3HDAC1
SCHEMBL1748080 0.76 HDAC6 (0.53) HDAC6DGAT1ROCK1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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 (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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC HDAC6 522/4885DGAT1 34/4885ROCK1 4141/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC HDAC6 522/4885DGAT1 34/4885ROCK1 4141/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC HDAC6 522/4885DGAT1 34/4885ROCK1 4141/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC HDAC6 522/4885DGAT1 34/4885ROCK1 4141/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC HDAC6 522/4885DGAT1 34/4885ROCK1 4141/4885

“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.