SCHEMBL571029

SCHEMBL571029

CC(O)N(CCCN(C)C)CCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
DNM1 Q05193 3/20 0.36
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
HRH4 Q9H3N8 2/20 0.32
CYP1A2 P05177 1/20 0.32
HRH2 P25021 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6237147 0.79 ALDH1A1 (0.43) ALDH1A1TSHRDNM1MAPTUSP2
SCHEMBL2493708 0.79 ALDH1A1 (0.43) ALDH1A1TSHRDNM1MAPTUSP2
SCHEMBL8906285 0.78 ALDH1A1 (0.47) ALDH1A1TSHRDNM1MAPTUSP2
SCHEMBL331155 0.76 MMP1 (0.38) ALDH1A1TSHRDNM1CA12CA2
SCHEMBL16821961 0.75 TSHR (0.39) ALDH1A1TSHRDNM1MAPTUSP2
SCHEMBL17431703 0.75 ALDH1A1 (0.39) ALDH1A1TSHRDNM1MAPTTDP1
SCHEMBL1674640 0.74 CHRM2 (0.35) TDP1
SCHEMBL3536903 0.74 DNM1 (0.42) TSHRDNM1CA12CA2CA9
Ammonia Solution, Strong SCHEMBL5857243 0.74 MMP1 (0.37) ALDH1A1TSHRDNM1CA12CA2
SCHEMBL30006663 0.74 LMNA (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2868679-B1 CATALYST COMPOSITION FOR PRODUCING POLYURETHANE RESIN, AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAID CATALYST COMPOSITION TOSOH CORP (JP) 2019-01-09 EP disclosed
US-9725553-B2 Catalyst composition for producing polyurethane resin, and method for producing polyurethane resin using said catalyst composition TOSOH CORPORATION (JP) 2017-08-08 US disclosed
EP-2717995-B1 ABSORPTION MEDIUM AND METHOD FOR ABSORPTION OF AN ACID GAS FROM A GAS MIXTURE EVONIK DEGUSSA GMBH (DE) 2015-08-05 EP disclosed
US-20150191565-A1 CATALYST COMPOSITION FOR PRODUCING POLYURETHANE RESIN, AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAID CATALYST COMPOSITION TOSOH CORPORATION (JP) 2015-07-09 US disclosed
EP-2868679-A1 CATALYST COMPOSITION FOR PRODUCING POLYURETHANE RESIN, AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAID CATALYST COMPOSITION Tosoh Corporation (JP) 2015-05-06 EP disclosed
WO-2015000637-A1 ABSORPTION MEDIUM AND METHOD FOR ABSORPTION OF CO2 FROM A GAS MIXTURE, WHEREIN THE MEDIUM COMPRISES WATER, AN AMINE AND AN ORGANIC SALT EVONIK DEGUSSA GMBH (DE) 2015-01-08 WO disclosed
EP-2655488-B1 COMPOSITIONS COMPRISING QUAT COMPOUNDS AND ORGANOPOLYSILOXANES WACKER CHEMIE AG (DE) 2014-12-03 EP disclosed
EP-2601171-B1 BETA-KETOCARBONYLQUAT COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF WACKER CHEMIE AG (DE) 2014-09-03 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
EP-2717995-A1 ABSORPTION MEDIUM AND METHOD FOR ABSORPTION OF AN ACID GAS FROM A GAS MIXTURE Evonik Degussa GmbH (DE) 2014-04-16 EP disclosed
EP-2655488-A1 COMPOSITIONS COMPRISING QUAT COMPOUNDS AND ORGANOPOLYSILOXANES Wacker Chemie AG (DE) 2013-10-30 EP disclosed
EP-2601171-A1 BETA-KETOCARBONYLQUAT COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Wacker Chemie AG (DE) 2013-06-12 EP disclosed
WO-2012168095-A1 ABSORPTION MEDIUM AND METHOD FOR ABSORPTION OF AN ACID GAS FROM A GAS MIXTURE EVONIK DEGUSSA GMBH (DE) 2012-12-13 WO disclosed
EP-2532412-A1 Absorption medium and method for absorbing an acidic gas from a gas mixture Evonik Degussa GmbH (DE) 2012-12-12 EP disclosed
WO-2012084830-A1 COMPOSITIONS COMPRISING QUAT COMPOUNDS AND ORGANOPOLYSILOXANES WACKER CHEMIE AG (DE) 2012-06-28 WO disclosed
WO-2012016837-A1 BETA-KETOCARBONYLQUAT COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF WACKER CHEMIE AG (DE) 2012-02-09 WO disclosed
EP-1852456-B1 Process for preparing ß-ketocarbonyl-functional organosilicon compounds WACKER CHEMIE AG (DE) 2009-06-17 EP disclosed
US-7495119-B2 Process for preparing β-Ketocarbonyl-functional organosilicon compounds WACKER CHEMIE AG (DE) 2009-02-24 US disclosed
US-20070260081-A1 Process For Preparing Beta-Ketocarbonyl-Functional Organosilicon Compounds WACKER CHEMIE AG (DE) 2007-11-08 US disclosed
EP-1852456-A1 Process for preparing ß-ketocarbonyl-functional organosilicon compounds Wacker Chemie AG (DE) 2007-11-07 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-20070260081-A1 Process For Preparing Beta-Ketocarbonyl-Functional Organosilicon Compounds NR3C2, NR2C2, SCO2 ALDH1A1 4055/4885TSHR 1326/4885DNM1 3594/4885
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 1423/4885TSHR 3285/4885DNM1 3207/4885

“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.