SCHEMBL687804

SCHEMBL687804

O=[N+]([O-])C1(Br)CCOOC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 2/20 0.45
KCNA1 Q09470 2/20 0.45
KCNAB1 Q14722 2/20 0.45

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
SCHEMBL28700910 0.75 KCNA4 (0.45) KCNA4KCNA1KCNAB1
SCHEMBL15642971 0.72 KCNA4 (0.44) KCNA4KCNA1KCNAB1
SCHEMBL97282 0.65 KCNA4 (0.56) KCNA4KCNA1KCNAB1
SCHEMBL4575766 0.64 KCNA4 (0.40) KCNA4KCNA1KCNAB1
Cyclohexane SCHEMBL28752636 0.62 KCNA4 (0.52) KCNA4KCNA1KCNAB1
SCHEMBL10447506 0.62 KCNA4 (1.00) KCNA4KCNA1KCNAB1
Nibroxane SCHEMBL379346 0.61 KCNA4 (0.55) KCNA4KCNA1KCNAB1
SCHEMBL3675468 0.60 KCNA4 (0.31) KCNA4KCNA1KCNAB1
SCHEMBL2465011 0.56 KCNA4 (0.40) KCNA4KCNA1KCNAB1
Nitric Acid SCHEMBL10340764 0.52 CA5A (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446092-B1 USE OF CAPRYLOYL GLUTAMATE SALTS AND CAPRYLOYL HYDROLYSATE SALTS OF WHEAT AND/OR RICE PROTEIN IN DETERGENT AND COSMETIC COMPOSITIONS ZSCHIMMER & SCHWARZ ITALIANA S (IT) 2008-08-13 EP claimed
EP-1074247-B1 Use of zinc alkylsulphates and/or alky(poly)ethoxysulphates as surfactants and preservatives in cleansing or cosmetic compositions ZSCHIMMER & SCHWARZ ITALIANA S (IT) 2006-09-27 EP claimed
EP-1381576-B1 A PROCESS FOR COATING A SILICEOUS SUBSTRATE WITH A SILICON CONTAINING LAYER ICT COATINGS N V (BE) 2005-03-23 EP claimed
US-20050008601-A1 Detergent and cosmetic compositions comprising capryloyl glutamate salts and/oder capryloyl hydrolysate salts of wheat and/or rice protein ZSCHIMMER & SCHWARZ ITALIANA S.P.A. (IT) 2005-01-13 US claimed
EP-1446473-A2 FLOOR CLEANING WIPE Colgate-Palmolive Company (US) 2004-08-18 EP claimed
EP-1446092-A1 DETERGENT AND COSMETIC COMPOSITIONS COMPRISING CAPRYLOYL GLUTAMATE SALTS AND/ODER CAPRYLOYL HYDROLYSATE SALTS OF WHEAT AND/OR RICE PROTEIN Zschimmer & Schwarz Italiana S.p.A. (IT) 2004-08-18 EP claimed
EP-1381576-A1 A PROCESS FOR COATING A SILICEOUS SUBSTRATE WITH A SILICON CONTAINING LAYER ICT Coatings N.V. (BE) 2004-01-21 EP claimed
US-20030100457-A1 The use of salts of undecylenoil glutamate and/or undecylenoil hydrolyzate of wheat and/or rice proteins in the formulation of detergent or cosmetic compositions, and compositions containing such salts ZSCHIMMER & SCHWARZ ITALIANA S.P.A. 2003-05-29 US claimed
WO-2003042345-A2 FLOOR CLEANING WIPE COLGATE-PALMOLIVE COMPANY (US) 2003-05-22 WO claimed
WO-2003039496-A1 DETERGENT AND COSMETIC COMPOSITIONS COMPRISING CAPRYLOYL GLUTAMATE SALTS AND/OR CAPRYLOYL HYDROLYSATE SALTS OF WHEAT AND/OR RICE PROTEIN ZSCHIMMER & SCHWARZ ITALIANA S.P.A. (IT) 2003-05-15 WO claimed
US-20030026907-A1 Process for coating a siliceous substrate with a silicon containing layer ICT COATING N.V. 2003-02-06 US claimed
EP-1221313-A9 Salts of undecylenoyl glutamate or of undecylenoyl hydrolyzate of wheat or rice proteins in detergent or cosmetic compositions Zschimmer & Schwarz Italiana S.p.A. (IT) 2003-01-02 EP claimed
WO-2002088043-A1 A PROCESS FOR COATING A SILICEOUS SUBSTRATE WITH A SILICON CONTAINING LAYER ICT COATINGS N.V. (BE) 2002-11-07 WO claimed
US-6436887-B1 WIPE COMPRISING WATER INSOLUBLE SUBSTRATE FORMED FROM THREE LAYERS IMPREGNATED WITH COMPOSITION COMPRISING TALL OIL FATTY ACID, COCOAMIDOPROPYLAMINE OXIDE, COCOAMIDOPROPYLHYDROXY SULTAINE, PERFUME, 5-BROMO-5-NITRO-DIOXANE AND WATER COLGATE- PALMOLIVE COMPANY 2002-08-20 US claimed
EP-1221313-A2 Salts of undecylenoyl glutamate or of undecylenoyl hydrolyzate of wheat or rice proteins in detergent or cosmetic compositions Zschimmer & Schwarz Italiana S.p.A. (IT) 2002-07-10 EP claimed
US-6384003-B1 SUBSTRATE IMPREGNATED WITH CLEANING COMPOUND COLGATE-PALMOLIVE COMPANY 2002-05-07 US claimed
EP-1074247-A2 Cleansing or cosmetic compositions comprising zinc alkylsulphates and/or alky(poly)ethoxysulphates as surfactants and preservatives Zschimmer & Schwarz Italiana S.p.A. (IT) 2001-02-07 EP claimed
US-3931233-A Process for the production of 5-bromo-5-nitro-1,3-dioxane HENKEL & CIE G.M.B.H. (DT) 1976-01-06 US claimed
US-11065151-B2 Therapeutic agent formulations for implanted devices FORSIGHT VISION4, INC. (US) 2021-07-20 US disclosed
WO-1989012439-A1 EMULSION FOR CARE OF THE HAIR WELLA AKTIENGESELLSCHAFT (DE) 1989-12-28 WO 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-20050008601-A1 Detergent and cosmetic compositions comprising capryloyl glutamate salts and/oder capryloyl hydrolysate salts of wheat and/or rice protein CUTA, DEK, DDO KCNA4 3504/4885KCNA1 3849/4885KCNAB1 3643/4885
US-20030100457-A1 The use of salts of undecylenoil glutamate and/or undecylenoil hydrolyzate of wheat and/or rice proteins in the formulation of detergent or cosmetic compositions, and compositions containing such salts DDO, HDHD5, DGAT1 KCNA4 2618/4885KCNA1 2593/4885KCNAB1 2530/4885

“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.