SCHEMBL3388085

SCHEMBL3388085

C=CC(=O)NC(C)(CCC)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL6334959 0.82
SCHEMBL2876190 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL7581320 0.72 KDM4E (0.32) CYP2C19
SCHEMBL176115 0.69 ZDHHC20 (0.34) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4906709 0.69 KMT2A (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL35674 0.67 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL7158460 0.65 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9398270 0.65 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9246722 0.65 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL5345932 0.65 HMGCR (0.42) ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159859-A1 HIGHLY ALKALINE TEXTILE DETERGENT COMPRISING PROTEASE HENKEL AG & CO. KGAA (DE) 2023-05-25 US disclosed
EP-3472290-B1 CONCENTRATED ISOTROPIC LIQUID DETERGENTS CONTAINING POLYMERS HENKEL AG & CO KGAA (DE) 2023-05-03 EP disclosed
US-20220183527-A1 Cleaning Robot Comprising A Cleaning Cloth And A Cleaning Agent HENKEL AG & CO. KGAA (DE) 2022-06-16 US disclosed
US-11220660-B2 Portion bag having bleach activator/complexing agent compound HENKEL AG & CO. KGAA (DE) 2022-01-11 US disclosed
US-20200172835-A1 DETERGENTS AND CLEANERS WITH IMPROVED CLEANING POWER THROUGH THE USE OF CARBOHYDRATES HENKEL AG & CO. KGAA (DE) 2020-06-04 US disclosed
US-20190276779-A1 Portion Bag Having Bleach Activator/Complexing Agent Compound HENKEL AG & CO. KGAA (DE) 2019-09-12 US disclosed
US-20170198243-A1 LIQUID CLEANING AGENT CONTAINING LIQUID AND SOLID ENZYME FORMULATIONS HENKEL AG & CO. KGAA (DE) 2017-07-13 US disclosed
US-20120156377-A1 AGENT FOR TREATING HARD SURFACES HENKEL AG & CO. KGAA (DE) 2012-06-21 US disclosed
US-7737103-B2 Multicomponent thin-to-thick system HENKEL AG & CO. KGAA (DE) 2010-06-15 US disclosed
US-7585825-B2 Scented solid substances comprising a non-ionic surfactant-impregnated carrier HENKEL AG & CO. KGAA (DE) 2009-09-08 US disclosed
US-20070111921-A1 Scented solid substances HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-05-17 US disclosed
US-20070004609-A1 Multicomponent thin-to-thick system HENKEL AG & CO. KGAA (DE) 2007-01-04 US disclosed
US-6090764-A Water-based manual dishwashing detergents comprising glycerol sulfates HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-18 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-20070004609-A1 Multicomponent thin-to-thick system CUTA, LAGE3, SMURF2 ALDH1A1 3783/4885CYP3A4 3915/4885CYP2C9 3752/4885

“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.