SCHEMBL10328631

SCHEMBL10328631

CC(C)Cc1coc(C(=O)O)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
GPR35 Q9HC97 1/20 0.35
PTGS1 P23219 6/20 0.35
PTGS2 P35354 5/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALB P02768 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 1/20 0.35
ADRB3 P13945 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
NR1I3 Q14994 1/20 0.35

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
SCHEMBL3333978 0.83 GPR35 (0.43) ALDH1A1GPR35PTGS1PTGS2ALOX5
SCHEMBL3334784 0.79 PTPN1 (0.40) ALDH1A1POLBGPR35PTGS1TSHR
SCHEMBL10328546 0.77 PDE2A (0.41) ALDH1A1GABRA1GABRB2GPR35LMNA
SCHEMBL10328625 0.76 F13A1 (0.41) ALDH1A1GPR35RARBMCL1
SCHEMBL9203298 0.75 IDH1 (0.47) PTGS1BCL2PTGER4KDM4EUSP2
SCHEMBL10328545 0.73 FABP3 (0.41) ALDH1A1GPR35PTGS1PTGER4KDM4E
SCHEMBL10328645 0.72 LMNA (0.43) ALDH1A1GPR35LMNATSHRPTGER4
SCHEMBL10032704 0.72 KDM4E (0.42) ALDH1A1GPR35PTGS1PTGER4KDM4E
SCHEMBL10328652 0.71 ALDH1A1 (0.36) ALDH1A1GPR35PTGS1LMNATSHR
SCHEMBL10328613 0.70 ALDH1A1 (0.40) ALDH1A1POLBGPR35PTGS1LMNA

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 ALDH1A1 951/4885POLB 3893/4885GABRA1 2631/4885

“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.