SCHEMBL2928705

SCHEMBL2928705

CCCCCOc1cc2c(cc1OCCCC(=O)O)C(=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
LTB4R Q15722 6/20 0.46
LTB4R2 Q9NPC1 6/20 0.46
S1PR5 Q9H228 1/20 0.44
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLA2G4B P0C869 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2929677 0.99 LTB4R (0.47) BRD4LTB4RLTB4R2S1PR5PLA2G4B
SCHEMBL4450768 0.87 LTB4R (0.49) BRD4LTB4RLTB4R2TSHR
SCHEMBL13956434 0.87 LTB4R (0.47) BRD4LTB4RLTB4R2TSHR
SCHEMBL4453277 0.87 LTB4R (0.47) BRD4LTB4RLTB4R2TSHR
SCHEMBL13971111 0.86 LTB4R (0.44) BRD4LTB4RLTB4R2TSHR
SCHEMBL11811840 0.85 BRD4 (0.46) BRD4
SCHEMBL13956436 0.84 BRD4 (0.40) BRD4LTB4RLTB4R2S1PR5TSHR
SCHEMBL2926371 0.83 BRD4 (0.38) BRD4LTB4RLTB4R2
SCHEMBL2929875 0.81 PTGDR2 (0.44) BRD4S1PR5TSHRMEN1ALOX15
SCHEMBL2932345 0.81 S1PR5 (0.45) BRD4S1PR5TSHRMEN1ALOX15

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 BRD4 676/4885LTB4R 231/4885LTB4R2 267/4885

“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.