SCHEMBL2395037

SCHEMBL2395037

CCC(CCOC)(CC(=O)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
CXCR3 P49682 1/20 0.39
HDAC3 O15379 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC2 Q92769 5/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HTT P42858 1/20 0.38
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37

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
SCHEMBL5006811 0.86 GSK3B (0.43) GSK3BHDAC3HDAC1HDAC2KMT2A
SCHEMBL2308129 0.83 MAPT (0.37) L3MBTL1CYP1A2RAB9AMAPTHPGD
SCHEMBL5006802 0.80 HDAC3 (0.44) GSK3BHDAC3HDAC1HDAC2KMT2A
SCHEMBL1747934 0.75 ALDH1A1 (0.48) GSK3BHDAC3HDAC1HDAC2KMT2A
SCHEMBL8864148 0.74 GSK3B (0.53) GSK3BCXCR3HDAC3HDAC1HDAC2
SCHEMBL13355120 0.74 ARG1 (0.36) KMT2AMEN1CYP1A2ALDH1A1THRB
SCHEMBL2314404 0.73 GSK3B (0.41) GSK3BHDAC3HDAC1HDAC2KMT2A
SCHEMBL180665 0.71 GSK3B (0.53) GSK3BHDAC3HDAC1HDAC2KMT2A
SCHEMBL1748168 0.71 GSK3B (0.46) GSK3BHDAC3HDAC1HDAC2KMT2A
SCHEMBL20142949 0.70 GSK3B (0.52) GSK3BHDAC3HDAC1HDAC2KMT2A

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 3 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
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 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

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-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC GSK3B 2741/4885CXCR3 2457/4885HDAC3 75/4885

“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.