SCHEMBL2454527

SCHEMBL2454527

CN(C)CCCC(O)CCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
DNM1 Q05193 3/20 0.39
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
HRH2 P25021 1/20 0.34
KDM4A O75164 5/20 0.33
KDM4C Q9H3R0 5/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM5A P29375 1/20 0.33
KDM7A Q6ZMT4 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL9671940 0.97 ALDH1A1 (0.45) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL17769386 0.92 ALDH1A1 (0.53) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL17526552 0.90 DNM1 (0.50) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL17526769 0.90 DNM1 (0.50) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL2354681 0.90 DNM1 (0.44) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL23394580 0.87 ALDH1A1 (0.41) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL28581574 0.87 THRB (0.43) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL24802216 0.87 THRB (0.43) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL1132685 0.87 THRB (0.43) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL17523799 0.86 ACACB (0.38) ALDH1A1TSHRHTR2AHRH1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303453-B1 POLYURETHANE-ORGANOPOLYSILOXANES RUDOLF GMBH (DE) 2022-06-08 EP disclosed
US-10626223-B2 Polyurethane-organopolysiloxanes RUDOLF GMBH (DE) 2020-04-21 US disclosed
US-20180155503-A1 POLYURETHANE-ORGANOPOLYSILOXANES RUDOLF GMBH (DE) 2018-06-07 US disclosed
WO-2016037946-A1 STABLE DEFOAMERS FOR HIGH ELECTROLYTE AGRICULTURAL FORMULATIONS WACKER CHEMIE AG (DE) 2016-03-17 WO disclosed
US-20160066567-A1 STABLE DEFOAMERS FOR HIGH ELECTROLYTE AGRICULTURAL FORMULATIONS WACKER CHEMICAL CORPORATION 2016-03-10 US disclosed
US-8986647-B2 Hydrophilic silicone copolymers useful in carbon fiber production WACKER CHEMICAL CORPORATION (US) 2015-03-24 US disclosed
EP-2356171-B1 SILOXANE COPOLYMERS AND METHODS FOR PRODUCTION THEREOF WACKER CHEMIE AG (DE) 2014-11-26 EP disclosed
US-20130101494-A1 Hydrophilic Silicone Copolymers Useful In Carbon Fiber Production WACKER CHEMICAL CORPORATION (US) 2013-04-25 US disclosed
EP-2350167-B1 ANTIFOAMING COMPOSITIONS WACKER CHEMIE AG (DE) 2013-01-16 EP disclosed
US-8084566-B2 Antifoaming compositions WACKER CHEMIE AG (DE) 2011-12-27 US disclosed
US-7427648-B2 Hydrophilic siloxane copolymers and process for the preparation thereof WACKER CHEMIE AG (DE) 2008-09-23 US disclosed
US-20080200608-A1 Defoamer Formulations WACKER CHEMIE AG (DE) 2008-08-21 US disclosed
EP-1572780-B1 HYDROPHILIC COPOLYSILOXANES AND METHOD FOR THE PRODUCTION THEREOF WACKER CHEMIE AG (DE) 2008-07-30 EP disclosed
EP-1753804-B1 METHOD FOR MODIFYING FIBROUS SUBSTRATES WITH SILOXANE COPOLYMERS WACKER CHEMIE AG (DE) 2008-04-30 EP disclosed
US-20080075683-A1 Method for Modifying Fibrous Substrates with Siloxan Copolymers WACKER CHEMIE AG (DE) 2008-03-27 US disclosed
US-7319120-B2 Hydrosilylating Si H-functional organosiloxane with compound containing hydrosilylatable group and active hydrogen (allylpolyoxyalkylene alcohol); reacting intermediate with di- or polyisocyanate; reactants contain less than 2000 ppm water WACKER CHEMIE AG (DE) 2008-01-15 US disclosed
EP-1607427-B1 Hydrophilic siloxane copolymers and process for their preparation WACKER CHEMIE AG (DE) 2006-08-23 EP disclosed
US-20060155051-A1 Hydrophilic copolysiloxanes and method for the production thereof WACKER-CHEMIE GMBH (DE) 2006-07-13 US disclosed
EP-1607427-A1 Hydrophilic siloxane copolymers and process for their preparation Wacker-Chemie GmbH (DE) 2005-12-21 EP disclosed
US-20050272862-A1 Hydrophilic siloxane copolymers and process for the preparation thereof WACKER-CHEMIE GMBH (DE) 2005-12-08 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-20160066567-A1 STABLE DEFOAMERS FOR HIGH ELECTROLYTE AGRICULTURAL FORMULATIONS AQP1, HDHD5, AQP3 ALDH1A1 2800/4885TSHR 3734/4885HTR2A 3768/4885

“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.