SCHEMBL1746504

SCHEMBL1746504

COC(=O)CCc1ccc(O)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
OR51E2 Q9H255 1/20 0.51
APP P05067 2/20 0.50
HIF1A Q16665 2/20 0.49
PCNA P12004 2/20 0.49
POLB P06746 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
IAPP P10997 3/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL30716575 1.00 ALOX5 (0.51) ALOX5OR51E2APPHIF1APCNA
SCHEMBL17594761 0.91 MTNR1A (0.48) ALOX5OR51E2HIF1APCNAPOLB
SCHEMBL3274537 0.85 APP (0.68) ALOX5OR51E2APPHIF1AMAPK1
SCHEMBL14901973 0.84 PTPN1 (0.43) ALOX5OR51E2APPALDH1A1LMNA
SCHEMBL4108699 0.83 GAA (0.66) HIF1APCNAPOLBTHRATHRB
SCHEMBL1746736 0.83 PCNA (0.44) ALOX5OR51E2HIF1APCNAPOLB
SCHEMBL2722450 0.83 CA12 (0.43) ALOX5OR51E2PTPN1
SCHEMBL2722156 0.83 L3MBTL1 (0.43) ALOX5OR51E2POLBMAPTPTPN1
SCHEMBL1446362 0.83 ALOX5 (0.50) ALOX5OR51E2PTPN1
SCHEMBL18269500 0.82 ALOX5 (0.53) ALOX5OR51E2APPALDH1A1GAA

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
CN-103030646-B Benzodioxane analog derivative, its preparation method and in application pharmaceutically 上海恒瑞医药有限公司 2016-08-24 CN disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
CN-103030646-A Benzodioxane derivative, and preparation method thereof and application of derivative in medicines SHANGHAI HENGRUI PHARM CO LTD 2013-04-10 CN disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP disclosed
US-6586442-B2 Benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CARNIATO DENIS (FR) 2003-07-01 US disclosed
US-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-12-12 US disclosed
US-6458801-B1 PHARMACEUTICALLY ACCEPTABLE SALTS AND ITS PRODRUG USEFUL FOR TREATING OSTEOPOROSIS. AVENTIS PHARMA S.A. (FR) 2002-10-01 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 (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-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CYP2F1, CYP2C19, CYP2B6 ALOX5 879/4885OR51E2 4003/4885APP 955/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR ALOX5 3500/4885OR51E2 381/4885APP 3282/4885

“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.