SCHEMBL2932851

SCHEMBL2932851

CCCCCOc1ccc(C(=O)N(CC)CC)cc1OCc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PLA2G4B P0C869 1/20 0.49
PTPN11 Q06124 1/20 0.48

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
SCHEMBL2927457 0.81 MRGPRX4 (0.68) MRGPRX4RAB9ASMN1; SMN2PLA2G4B
SCHEMBL7336764 0.79 ALDH1A1 (0.67) PLA2G4BPTPN11
SCHEMBL2928667 0.78 HSD17B10 (0.69) MRGPRX4NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1199847 0.77 ALDH1A1 (0.69) PLA2G4BPTPN11
SCHEMBL9512861 0.77 ALDH1A1 (0.65) PLA2G4BPTPN11
SCHEMBL1231278 0.77 ALDH1A1 (0.69) PLA2G4BPTPN11
SCHEMBL1201602 0.77 ALDH1A1 (0.69) PLA2G4BPTPN11
SCHEMBL1200986 0.77 ALDH1A1 (0.69) PLA2G4BPTPN11
SCHEMBL1199892 0.77 ALDH1A1 (0.69) PLA2G4BPTPN11
SCHEMBL1199953 0.77 ALDH1A1 (0.69) PLA2G4BPTPN11

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 8 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

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 MRGPRX4 888/4885NPC1 1307/4885LMNA 704/4885

“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.