SCHEMBL2932345

SCHEMBL2932345

O=C(O)CCCOc1cc2c(cc1OCCC1CCCCC1)CCC2=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
PPARG P37231 3/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
FABP3 P05413 3/20 0.39
FABP4 P15090 3/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IDO1 P14902 1/20 0.38
BRD4 O60885 1/20 0.38
SCN9A Q15858 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL2929875 0.91 PTGDR2 (0.44) S1PR5PTGDR2CYSLTR2CYSLTR1FABP3
SCHEMBL13956442 0.87 S1PR5 (0.45) S1PR5PTGDR2PPARGCYSLTR2CYSLTR1
SCHEMBL13956439 0.85 PTGDR2 (0.43) S1PR5PTGDR2CYSLTR2CYSLTR1FABP3
SCHEMBL4453920 0.85 PTGDR2 (0.43) S1PR5PTGDR2CYSLTR2CYSLTR1FABP3
SCHEMBL13956432 0.82 PTGDR2 (0.59) PTGDR2FABP3FABP4BRD4
SCHEMBL2928705 0.81 BRD4 (0.46) S1PR5MEN1ALOX15TSHRRECQL
SCHEMBL2929677 0.80 LTB4R (0.47) S1PR5BRD4
SCHEMBL13971111 0.73 LTB4R (0.44) TSHRBRD4
SCHEMBL13956559 0.73 BRD4 (0.41) FABP3FABP4TSHRBRD4
SCHEMBL13956613 0.73 S1PR5 (0.39) S1PR5PTGDR2FABP3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653134-B2 Hydroxyphenol derivatives, processes for the preparation thereof, pharmaceutical compositions them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2014-02-18 US claimed
EP-1836150-B1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2010-09-15 EP claimed
US-20080161308-A1 e.g. 4-[6-(2-cyclohexylethoxy)-3-oxoindan-5-yloxy]butanoic acid; peroxisome proliferator-activated receptor (PPAR) gamma agonist; antiinflammatory, antidiabetic agent; dyslipidaemia, atherosclerosis, insulin resistance MERCK PATENT GMBH (DE) 2008-07-03 US claimed
EP-1836150-A1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF Merck Patent GmbH (DE) 2007-09-26 EP claimed
WO-2006074798-A1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-07-20 WO claimed
US-8653134-B2 Hydroxyphenol derivatives, processes for the preparation thereof, pharmaceutical compositions them, and therapeutic uses thereof MERCK PATENT GMBH (DE) 2014-02-18 US disclosed
EP-1836150-B1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
US-20080161308-A1 e.g. 4-[6-(2-cyclohexylethoxy)-3-oxoindan-5-yloxy]butanoic acid; peroxisome proliferator-activated receptor (PPAR) gamma agonist; antiinflammatory, antidiabetic agent; dyslipidaemia, atherosclerosis, insulin resistance MERCK PATENT GMBH (DE) 2008-07-03 US disclosed
EP-1836150-A1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF Merck Patent GmbH (DE) 2007-09-26 EP disclosed
WO-2006074798-A1 HYDROXYPHENOL DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC USES THEREOF MERCK PATENT GMBH (DE) 2006-07-20 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-20080161308-A1 e.g. 4-[6-(2-cyclohexylethoxy)-3-oxoindan-5-yloxy]butanoic acid; peroxisome proliferator-activated receptor (PPAR) gamma agonist; antiinflammatory, antidiabetic agent; dyslipidaemia, atherosclerosis, insulin resistance PPARG, PPARA, PPARD S1PR5 710/4885PTGDR2 266/4885PPARG 1/4885

“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.