SCHEMBL1343832

SCHEMBL1343832

NC(CCCCCCCCC(N)=NO)=NO

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.35
TPI1 P60174 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL1343831 1.00 CYP2D6 (0.69) CYP2D6TSHRTPI1SPHK2SPHK1
SCHEMBL12127653 1.00 CYP2D6 (0.69) CYP2D6TSHRTPI1SPHK2SPHK1
SCHEMBL12757722 1.00 CYP2D6 (0.69) CYP2D6TSHRTPI1SPHK2SPHK1
SCHEMBL12757720 0.97 CYP2D6 (0.73) CYP2D6TSHRTPI1
SCHEMBL12129809 0.97 CYP2D6 (0.73) CYP2D6TSHRTPI1
SCHEMBL1341624 0.97 CYP2D6 (0.73) CYP2D6TSHRTPI1
SCHEMBL12127650 0.97 CYP2D6 (0.73) CYP2D6TSHRTPI1
SCHEMBL19698072 0.90 CYP2D6 (0.73) CYP2D6TSHRTPI1
SCHEMBL15174081 0.87 CYP2D6 (0.52) CYP2D6TSHRSPHK2SPHK1
SCHEMBL15174509 0.87 CYP2D6 (0.52) CYP2D6TSHRSPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802609-B2 Nitrile and amidoxime compounds and methods of preparation for semiconductor processing EKC TECHNOLOGY INC 2014-08-12 US claimed
US-20130035272-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING EKC TECHNOLOGY INC. 2013-02-07 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 claimed
US-20110065622-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING EKC TECHNOLOGY, INC. 2011-03-17 US claimed
EP-2207750-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC Technology, INC. (US) 2010-07-21 EP claimed
US-20100043823-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US claimed
US-20090130849-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. 2009-05-21 US claimed
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO claimed
WO-2009058278-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC (US) 2009-05-07 WO claimed
WO-2009058273-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. (US) 2009-05-07 WO claimed
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US claimed
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US claimed
US-8802609-B2 Nitrile and amidoxime compounds and methods of preparation for semiconductor processing EKC TECHNOLOGY INC 2014-08-12 US disclosed
EP-2207872-B1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY INC (US) 2013-07-03 EP disclosed
US-20130035272-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING EKC TECHNOLOGY INC. 2013-02-07 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
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058278-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC (US) 2009-05-07 WO disclosed
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 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 (3 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-20110065622-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING TNNI3K, TNK1, NIT2 CYP2D6 3696/4885TSHR 1915/4885TPI1 1177/4885
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION HNMT, HMOX2, EGLN2 CYP2D6 495/4885TSHR 1663/4885TPI1 1493/4885
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION GNMT, NIT2, NNMT CYP2D6 1003/4885TSHR 3860/4885TPI1 336/4885

“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.