SCHEMBL1341229

SCHEMBL1341229

CN(C)CCOCCOCCC#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
USP2 O75604 1/20 0.33
ESR1 P03372 2/20 0.31
ESRRG P62508 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL10490531 0.98 CA12 (0.39) CA12CA1CA2CA9CHRM2
SCHEMBL12127586 0.84 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL7753441 0.83 CA12 (0.36) CA12CA1CA2CA9CHRM2
SCHEMBL11443097 0.81 BLM (0.38) ALDH1A1TDP1
Water SCHEMBL2217898 0.80 CA12 (0.50) CA12CA1CA2CA9CHRM2
SCHEMBL3973874 0.80 CA12 (0.56) CA12CA1CA2CA9CHRM2
SCHEMBL1727052 0.80 ALDH1A1 (0.47) ALDH1A1TDP1
SCHEMBL12918862 0.80 CA12 (0.56) CA12CA1CA2CA9CHRM2
SCHEMBL15412364 0.80 ALDH1A1 (0.47) ALDH1A1TDP1
SCHEMBL1263638 0.80 ALDH1A1 (0.47) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115321-A Catalyst systems containing N,N-dimethylaminoalkoxypropionitriles for polyurethane foam formulation UNION CARBIDE CORPORATION (US) 1978-09-19 US claimed
US-4033911-A Process for catalyzing polyurethane foam formation using N,N-dimethyl-aminoalkoxy-propionitriles UNION CARBIDE CORPORATION (US) 1977-07-05 US claimed
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-7838483-B2 Process of purification of amidoxime containing cleaning solutions and their use EKC TECHNOLOGY, INC. (US) 2010-11-23 US disclosed
US-7838483-B2 Process of purification of amidoxime containing cleaning solutions and their use EKC TECHNOLOGY, INC. (US) 2010-11-23 US disclosed
US-7838483-B2 Process of purification of amidoxime containing cleaning solutions and their use EKC TECHNOLOGY, INC. (US) 2010-11-23 US disclosed
EP-2207872-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC Technology, INC. (US) 2010-07-21 EP disclosed
EP-2207750-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC Technology, INC. (US) 2010-07-21 EP disclosed
US-20100105595-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2010-04-29 US disclosed
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
US-4379757-A Tertiary amine catalyst mixtures useful in cellular polyurethane formation UNION CARBIDE CORPORATION (US) 1983-04-12 US disclosed
EP-0048985-A1 Process for cellular polyurethane formation using tertiary amine catalyst mixtures UNION CARBIDE CORPORATION (US) 1982-04-07 EP disclosed
US-4115321-A Catalyst systems containing N,N-dimethylaminoalkoxypropionitriles for polyurethane foam formulation UNION CARBIDE CORPORATION (US) 1978-09-19 US disclosed
US-4115321-A Catalyst systems containing N,N-dimethylaminoalkoxypropionitriles for polyurethane foam formulation UNION CARBIDE CORPORATION (US) 1978-09-19 US disclosed
US-4033911-A Process for catalyzing polyurethane foam formation using N,N-dimethyl-aminoalkoxy-propionitriles UNION CARBIDE CORPORATION (US) 1977-07-05 US disclosed
US-4033911-A Process for catalyzing polyurethane foam formation using N,N-dimethyl-aminoalkoxy-propionitriles UNION CARBIDE CORPORATION (US) 1977-07-05 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-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION HNMT, HMOX2, EGLN2 CA12 3027/4885CA1 2697/4885CA2 3147/4885

“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.