SCHEMBL1747972

SCHEMBL1747972

CCCC(CC(=O)c1ccc(-c2ccc(N)cc2)cc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
MAOA P21397 1/20 0.42
NPC1 O15118 3/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL5068457 1.00 KMT2A (0.52) KMT2ALMNACYP1A2CYP3A4MAOA
SCHEMBL1748271 0.89 NPC1 (0.55) KMT2ALMNACYP1A2CYP3A4MAOA
SCHEMBL1747964 0.86 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1ADRB2ADRB1
SCHEMBL5068496 0.84 KMT2A (0.57) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL1748263 0.84 KMT2A (0.57) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL4220123 0.81 KMT2A (0.47) KMT2ALMNANPC1MEN1RAB9A
SCHEMBL1747948 0.81 KMT2A (0.51) KMT2ALMNACYP1A2CYP3A4MAOA
SCHEMBL2308124 0.76 NPC1 (0.43) KMT2ALMNACYP1A2CYP3A4MAOA
SCHEMBL5005992 0.76 TSHR (0.44) KMT2ALMNACYP1A2CYP3A4NPC1
SCHEMBL1748086 0.75 NPC1 (0.58) KMT2ALMNACYP1A2CYP3A4MAOA

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-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
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 (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 KMT2A 627/4885LMNA 844/4885CYP1A2 98/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC KMT2A 627/4885LMNA 844/4885CYP1A2 98/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC KMT2A 627/4885LMNA 844/4885CYP1A2 98/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC KMT2A 627/4885LMNA 844/4885CYP1A2 98/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC KMT2A 627/4885LMNA 844/4885CYP1A2 98/4885

“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.