SCHEMBL10328545

SCHEMBL10328545

CC(C)c1coc(C(=O)O)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
CSNK2A2 P19784 1/20 0.40
PTGS1 P23219 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 4/20 0.35
THRA P10827 3/20 0.35
THRB P10828 3/20 0.35
HCAR2 Q8TDS4 1/20 0.33
PTGER4 P35408 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL10328652 0.82 ALDH1A1 (0.36) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL12261476 0.76 FABP3 (0.44) FABP3FABP4KDM4EALDH1A1KMT2A
SCHEMBL10032704 0.76 KDM4E (0.42) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL10328613 0.74 ALDH1A1 (0.40) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL22984400 0.74 GPR55 (0.37) KDM4EALDH1A1KMT2A
SCHEMBL1171093 0.74 DAO (0.50) KDM4E
SCHEMBL18473807 0.74 KDM4E (0.39) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL10161071 0.73 KDM4E (0.40) FABP3FABP4KDM4EALDH1A1ACE2
SCHEMBL10328631 0.73 ALDH1A1 (0.45) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL3217997 0.72 SMN1; SMN2 (0.55) KDM4EALDH1A1GPR35

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-8748483-B2 Use of substituted pyranone acid derivatives for the treatment of metabolic syndrome SANOFI (FR) 2014-06-10 US disclosed
US-8748483-B2 Use of substituted pyranone acid derivatives for the treatment of metabolic syndrome SANOFI (FR) 2014-06-10 US disclosed
EP-2120923-B1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI SA (FR) 2012-07-18 EP disclosed
US-20100144862-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
US-20100144862-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
WO-2008086949-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2008-07-24 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-20100144862-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME PC, PCK1, PDK4 FABP3 327/4885FABP4 58/4885KDM4E 3593/4885

“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.