SCHEMBL3418535

SCHEMBL3418535

O=C(O)CN(CCOCCO)CC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.79
PMP22 Q01453 2/20 0.79
HSD17B10 Q99714 1/20 0.79
TDP1 Q9NUW8 2/20 0.54
EYA2 O00167 1/20 0.54
APP P05067 1/20 0.54
ACE P12821 1/20 0.54
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ALOX15 P16050 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52

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
Ethylene Glycol SCHEMBL6500129 0.93 BLM (0.83) BLMPMP22HSD17B10TDP1EYA2
Ethylene Glycol SCHEMBL5335726 0.93 BLM (0.83) BLMPMP22HSD17B10TDP1EYA2
Egtazic Acid SCHEMBL3631773 0.91 BLM (0.87) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL620348 0.91 BLM (0.95) BLMPMP22HSD17B10TDP1EYA2
Egtazic Acid SCHEMBL22901 0.89 BLM (1.00) BLMPMP22HSD17B10TDP1EYA2
Egtazic Acid SCHEMBL920203 0.89 BLM (1.00) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL15508755 0.89 BLM (0.91) BLMPMP22HSD17B10TDP1EYA2
SCHEMBL11684972 0.89 BLM (1.00) BLMPMP22HSD17B10TDP1EYA2
Egtazic Acid SCHEMBL20954039 0.88 BLM (0.80) BLMPMP22HSD17B10TDP1EYA2
Egtazic Acid SCHEMBL7693453 0.87 BLM (0.87) BLMPMP22HSD17B10TDP1EYA2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4537580-B2 2010-09-01 JP claimed
EP-1114023-B1 PROCESS FOR PREPARING CARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2004-05-26 EP claimed
JP-2002524548-A 2002-08-06 JP claimed
CN-1318047-A Process for preparing carboxylic acids DOW AGROSCIENCES LLC (US) 2001-10-17 CN claimed
US-20010008948-A1 Process for preparing carboxylic acids RINGER JAMES W (US) 2001-07-19 US claimed
EP-1114023-A1 PROCESS FOR PREPARING CARBOXYLIC ACIDS Dow AgroSciences LLC (US) 2001-07-11 EP claimed
US-6229045-B1 CARBOXYLATION OF PRIMARY ALIPHATIC ALCOHOLS IN ALKALINE SOLUTION VIA CONTACTING WITH A CATALYST COMPRISING COBALT, COPPER, CERIUM, IRON, ZINC, AND/OR ZIRCONIUM DOW AGROSCIENCES LLC 2001-05-08 US claimed
WO-2000015601-A1 PROCESS FOR PREPARING CARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2000-03-23 WO claimed
EP-1114023-B1 PROCESS FOR PREPARING CARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2004-05-26 EP disclosed
CN-1318047-A Process for preparing carboxylic acids DOW AGROSCIENCES LLC (US) 2001-10-17 CN disclosed
US-20010008948-A1 Process for preparing carboxylic acids RINGER JAMES W (US) 2001-07-19 US disclosed
EP-1114023-A1 PROCESS FOR PREPARING CARBOXYLIC ACIDS Dow AgroSciences LLC (US) 2001-07-11 EP disclosed
US-6229045-B1 CARBOXYLATION OF PRIMARY ALIPHATIC ALCOHOLS IN ALKALINE SOLUTION VIA CONTACTING WITH A CATALYST COMPRISING COBALT, COPPER, CERIUM, IRON, ZINC, AND/OR ZIRCONIUM DOW AGROSCIENCES LLC 2001-05-08 US disclosed
WO-2000015601-A1 PROCESS FOR PREPARING CARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2000-03-23 WO disclosed
US-5376310-A Alkaline light duty dishwashing detergent composition containing an alkyl ethoxy carboxylate surfactant, magnesium ions, chelator and buffer THE PROCTER & GAMBLE CO. (US) 1994-12-27 US disclosed
US-4115634-A URETHANE BY POLYMERIZING POLYISOCYANATE AND COMPOUND WITH ACTIVE HYDROGEN, ORGANOMETALLIC CATALYST AIR PRODUCTS & CHEMICALS, INC. (US) 1978-09-19 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-20010008948-A1 Process for preparing carboxylic acids ADH1A, ADH1C, ADH5 BLM 4575/4885PMP22 3425/4885HSD17B10 1435/4885

“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.