SCHEMBL969702

SCHEMBL969702

C=C(C)C(=O)NCCC[N+](C)(CC)CC.COS(=O)(=O)[O-]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.37

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
SCHEMBL16343142 0.89 BBOX1 (0.41) BBOX1
SCHEMBL6117441 0.88 TGFBR1 (0.30)
SCHEMBL153023 0.87 POLB (0.37) BBOX1
SCHEMBL1727639 0.87 BBOX1 (0.43) BBOX1
Hydrochloric Acid SCHEMBL968646 0.85 BBOX1 (0.42) BBOX1
SCHEMBL6118217 0.83 POLB (0.36) BBOX1
SCHEMBL6117144 0.83 BBOX1 (0.36) BBOX1
SCHEMBL4671317 0.81 POLB (0.38) BBOX1
SCHEMBL30587689 0.81 ZDHHC20 (0.45) BBOX1
SCHEMBL2110268 0.79 BBOX1 (0.39) BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469713-B2 Ampholytic ter-polymers for use in personal care compositions BASF SE (DE) 2016-10-18 US claimed
WO-2016022161-A1 KERATIN CONDITIONING POLYMERS FOR USE IN PERSONAL CARE COMPOSITONS BASF SE (DE) 2016-02-11 WO claimed
WO-2015054452-A1 KERATIN CONDITIONING BIO-BASED POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS BASF SE (DE) 2015-04-16 WO claimed
US-20140147399-A1 AMPHOLYTIC TER-POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS BASF SE (DE) 2014-05-29 US claimed
US-8663612-B2 Ampholytic ter-polymers for use in personal care compositions BASF SE (DE) 2014-03-04 US claimed
US-20100226868-A1 AMPHOLYTIC TER-POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS BASF SE (DE) 2010-09-09 US claimed
US-20240016723-A1 SOLID DETERGENT COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2024-01-18 US disclosed
EP-4257114-A1 SOLID CLEANING AGENT COMPOSITION Osaka Organic Chemical Industry Ltd. (JP) 2023-10-11 EP disclosed
US-9469713-B2 Ampholytic ter-polymers for use in personal care compositions BASF SE (DE) 2016-10-18 US disclosed
EP-3016717-A1 AMPHOTERIC TER-POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS The Procter & Gamble Company (US) 2016-05-11 EP disclosed
WO-2016022161-A1 KERATIN CONDITIONING POLYMERS FOR USE IN PERSONAL CARE COMPOSITONS BASF SE (DE) 2016-02-11 WO disclosed
WO-2015054452-A1 KERATIN CONDITIONING BIO-BASED POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS BASF SE (DE) 2015-04-16 WO disclosed
WO-2015003035-A1 AMPHOTERIC TER-POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2015-01-08 WO disclosed
US-20110014147-A1 WATER-SOLUBLE RESIN, HAIR COSMETIC MATERIAL CONTAINING THE SAME, AND SILICONE OIL ADSORPTION ASSISTANT MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20100226868-A1 AMPHOLYTIC TER-POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS BASF SE (DE) 2010-09-09 US disclosed
EP-1911778-B1 COPOLYMER AND DETERGENT COMPOSITIONS CONTAINING THE SAME MITSUBISHI CHEM CORP (JP) 2010-05-12 EP disclosed
US-20100105592-A1 COPOLYMER AND DETERGENT COMPOSITIONS CONTAINING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-29 US disclosed
EP-1911778-A1 COPOLYMER AND DETERGENT COMPOSITIONS CONTAINING THE SAME Mitsubishi Chemical Corporation (JP) 2008-04-16 EP disclosed
US-20070167593-A1 Water-soluble resin, hair cosmetic material containing the same, and silicone oil adsorption assistant MITSUBISHI CHEMICAL CORPORATION (JP) 2007-07-19 US disclosed
EP-1719785-A1 WATER-SOLUBLE RESIN, COSMETIC HAIR PREPARATION CONTAINING THE SAME, AND SILICONE OIL ADSORPTION AID Mitsubishi Chemical Corporation (JP) 2006-11-08 EP 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-20140147399-A1 AMPHOLYTIC TER-POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS KRT18, CUTA, PRKDC BBOX1 672/4885
US-20100226868-A1 AMPHOLYTIC TER-POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS KRT18, CUTA, PRKDC BBOX1 672/4885

“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.