SCHEMBL2452957

SCHEMBL2452957

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
HRH2 P25021 1/20 0.33
HSD17B10 Q99714 1/20 0.32
DNM1 Q05193 3/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MAPT P10636 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
USP2 O75604 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
SCHEMBL17360706 0.86 MAPT (0.33) HTR2AHRH1TRPV1TRPA1MAPT
SCHEMBL10542932 0.78
SCHEMBL272638 0.78 ALDH1A1 (0.47) ALDH1A1TSHRHTR2AHRH1HRH4
SCHEMBL11328208 0.77 ALDH1A1 (0.38) ALDH1A1TSHRHTR2AHRH1TRPV1
SCHEMBL22894143 0.75
SCHEMBL557310 0.75
SCHEMBL1674533 0.75
SCHEMBL21164180 0.75 ALDH1A1 (0.45) ALDH1A1TSHRHTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL11562089 0.73 OPRM1 (0.46) ALDH1A1TSHRHTR2AHRH1HRH4
SCHEMBL1313423 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20130101494-A1 Hydrophilic Silicone Copolymers Useful In Carbon Fiber Production WACKER CHEMICAL CORPORATION (US) 2013-04-25 US disclosed
US-8084566-B2 Antifoaming compositions WACKER CHEMIE AG (DE) 2011-12-27 US disclosed
US-20110218137-A1 ANTIFOAMING COMPOSITIONS WACKER CHEMIE AG (DE) 2011-09-08 US disclosed
US-7645360-B2 Defoamer formulations WACKER CHEMIE AG (DE) 2010-01-12 US disclosed
US-20080200608-A1 Defoamer Formulations WACKER CHEMIE AG (DE) 2008-08-21 US 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
US-20060155051-A1 Hydrophilic copolysiloxanes and method for the production thereof WACKER-CHEMIE GMBH (DE) 2006-07-13 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.