SCHEMBL1748001

SCHEMBL1748001

COC(=O)C1(CC(=O)c2ccc(Br)cc2)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
GSK3B P49841 2/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL1747924 0.87 ALDH1A1 (0.43) GSK3BHDAC1HDAC8ALDH1A1GAA
SCHEMBL12265857 0.85 KMT2A (0.44) OPRM1OPRD1GSK3BHDAC1HDAC8
SCHEMBL1747957 0.82 POLB (0.42) CYP4F2CYP4A11POLBLMNAMEN1
SCHEMBL1748236 0.78 MMP8 (0.47) GSK3BPOLBMAPK1LMNAMEN1
SCHEMBL28840825 0.78 CYP4F2 (0.42) OPRM1OPRD1CYP4F2CYP4A11ALDH1A1
SCHEMBL16111600 0.73 KMT2A (0.44) GSK3BHDAC1HDAC8ALDH1A1GAA
SCHEMBL16111626 0.71 MMP2 (0.45) GSK3BHDAC1HDAC8ALDH1A1GAA
SCHEMBL2310541 0.71 RAB9A (0.50) OPRM1OPRD1GSK3BALDH1A1GAA
SCHEMBL1747950 0.70 CD274 (0.42) HDAC1POLBLMNAL3MBTL1MEN1
SCHEMBL3054538 0.70 HDAC1 (0.50) HDAC1ALDH1A1MAPK1LMNASMN1; SMN2

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 26 patents — showing the first 20. 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
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
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
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-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US 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-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 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-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-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
CN-1816531-A Process for the preparation of aryl alkyl acid derivatives and their use for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2006-08-09 CN disclosed
EP-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO 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 (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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC OPRM1 1336/4885OPRD1 1129/4885GSK3B 2741/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC OPRM1 1336/4885OPRD1 1129/4885GSK3B 2741/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC OPRM1 1336/4885OPRD1 1129/4885GSK3B 2741/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC OPRM1 1336/4885OPRD1 1129/4885GSK3B 2741/4885

“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.