SCHEMBL4232007

SCHEMBL4232007

CCOC(=O)C(CC(=O)c1ccc(Br)cc1)(Cc1ccccc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.52
MMP8 P22894 1/20 0.50
ALDH1A1 P00352 5/20 0.47
RECQL P46063 1/20 0.47
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
PIN1 Q13526 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
SCHEMBL1748056 0.88 NPSR1 (0.47) NPSR1POLBMMP8ALDH1A1RECQL
SCHEMBL8035614 0.87 POLB (0.55) NPSR1POLBMMP8ALDH1A1RECQL
SCHEMBL8037764 0.86 ALDH1A1 (0.60) NPSR1POLBMMP8ALDH1A1RECQL
SCHEMBL7862783 0.85 NPSR1 (0.45) NPSR1POLBMMP8ALDH1A1RECQL
SCHEMBL12430069 0.85 NPSR1 (0.45) NPSR1POLBMMP8ALDH1A1RECQL
SCHEMBL9554708 0.82 POLB (0.50) NPSR1POLBMMP8ALDH1A1RECQL
SCHEMBL8035619 0.82 POLB (0.53) NPSR1POLBMMP8ALDH1A1RECQL
SCHEMBL9554713 0.82 POLB (0.50) NPSR1POLBMMP8ALDH1A1RECQL
SCHEMBL27704908 0.82 MAPT (0.47) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1747922 0.81 ALDH1A1 (0.51) NPSR1POLBALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 US disclosed
US-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 US disclosed
US-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 US disclosed
CN-101198333-A Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2008-06-11 CN disclosed
EP-1874317-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2008-01-09 EP disclosed
WO-2006113919-A2 ARYL ALKYL ACID DERIVATIVES FOR AND USE THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2006-10-26 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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity FABP4, GPR119, LIPC NPSR1 1110/4885POLB 3459/4885MMP8 1470/4885

“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.