SCHEMBL2901176

SCHEMBL2901176

C=CCOc1cc(OC)ccc1C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.64
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALK Q9UM73 1/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BLM P54132 1/20 0.46
PTPN1 P18031 1/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LIG1 P18858 1/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL13924205 0.93 FLT3 (0.55) FLT3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL642762 0.90 FLT3 (0.60) FLT3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL13384225 0.89 FLT3 (0.62) FLT3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3955768 0.87 FLT3 (0.66) FLT3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2902590 0.87 FLT3 (0.66) FLT3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2374331 0.85 HSP90AA1 (0.50) FLT3ALDH1A1KDM4EGAABLM
SCHEMBL10848792 0.85 FLT3 (0.64) FLT3ALDH1A1KDM4EGAAPTPN1
SCHEMBL7272605 0.84 GAA (0.59) FLT3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2545851 0.84 FFAR4 (0.55) FLT3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9868423 0.84 MEN1 (0.48) FLT3ALDH1A1KDM4EKMT2AMEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
US-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-7345085-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-7345085-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-20070161689-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2007-07-12 US disclosed
EP-1765329-A2 INDOLES HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2007-03-28 EP disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7186746-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2007-03-06 US disclosed
WO-2006014262-A2 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2006-02-09 WO disclosed
US-20050277685-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2005-12-15 US disclosed
EP-1537078-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2005-06-08 EP disclosed
WO-2004020408-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 WO disclosed
WO-2004020409-A1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2004-03-11 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 (3 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-20050277685-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG FLT3 1469/4885ALDH1A1 1472/4885KDM4E 2186/4885
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent PPARD, PPARG, PPARA FLT3 172/4885ALDH1A1 1823/4885KDM4E 2218/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG FLT3 1469/4885ALDH1A1 1472/4885KDM4E 2186/4885

“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.