SCHEMBL3452161

SCHEMBL3452161

CCOC(=O)C1=Cc2ccc(OCc3ccccc3)cc2OCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
GRM5 P41594 4/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALOX5 P09917 1/20 0.52
MAOA P21397 2/20 0.50
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL10638674 0.89 ALOX5 (0.61) MAOBALDH1A1ALOX5MAOAMEN1
SCHEMBL4707088 0.87 MAOB (0.58) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL3450041 0.81 CA12 (0.43) MAOBNPC1ALDH1A1HPGDRAB9A
SCHEMBL5546808 0.79 ALOX5 (0.48) MAOBNPC1ALDH1A1NFKB1RAB9A
SCHEMBL4707010 0.79 MAOB (0.58) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL19809517 0.78 MAOB (0.51) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL7385872 0.78 CA12 (0.47) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL5018034 0.76 ALOX5 (0.58) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL12701620 0.75 TLR8 (0.57) MAOBALOX5MEN1HSP90AA1KMT2A
SCHEMBL8065256 0.74 ALOX5 (0.46) MAOBNPC1ALDH1A1RAB9AALOX5

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-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820837-B2 ethyl {6-[(3-phenoxybenzyl)oxy]-3,4-dihydronaphthalen-1-yl}acetate; having a GPR40 receptor function modulating action and being useful as an insulin secretagogue or a pharmaceutical agent for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
US-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 US disclosed
EP-1630152-A1 CONDENSED RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-03-01 EP 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 (2 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-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders GOT2, PC, GOT1 MAOB 603/4885GRM5 1163/4885NPC1 680/4885
US-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR MAOB 3684/4885GRM5 194/4885NPC1 2765/4885

“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.