SCHEMBL1748144

SCHEMBL1748144

O=CCC(CCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
ACE P12821 1/20 0.48
GRIK1 P39086 1/20 0.47
CPA3 P15088 1/20 0.46
LAP3 P28838 3/20 0.46
ERAP2 Q6P179 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ANPEP P15144 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
CPA1 P15085 1/20 0.44

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
SCHEMBL1857365 0.85 CYP1A2 (0.61) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL9748537 0.84 CYP2C19 (0.50) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL7439419 0.83 GRIK1 (0.64) CYP1A2GRIK1CPA3LAP3ERAP2
Water SCHEMBL4010621 0.83 CYP1A2 (0.59) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL7439193 0.83 GRIK1 (0.64) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL7439191 0.83 GRIK1 (0.64) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL2396464 0.81 CYP1A2 (0.70) CYP1A2CPA3CPA1
SCHEMBL27636583 0.81 SMN1; SMN2 (0.53) ACEMEN1HTTKMT2ASMN1; SMN2
SCHEMBL1857647 0.80 GRIK1 (0.60) CYP1A2GRIK1
SCHEMBL1857645 0.80 GRIK1 (0.60) CYP1A2GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685248-B1 OXIDOREDUCTASE FROM METSCHNIKOWIA ZOBELLII IEP GMBH (DE) 2010-06-09 EP claimed
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-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 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

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-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC CYP1A2 98/4885ACE 777/4885GRIK1 2085/4885

“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.