SCHEMBL9921169

SCHEMBL9921169

COc1cc(CCC(=O)NCCc2ccc(O)c(CO)c2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALOX5 P09917 1/20 0.59
OR51E2 Q9H255 1/20 0.59
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
TRPV1 Q8NER1 1/20 0.54

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
SCHEMBL1915903 0.91 MEN1 (0.70) MEN1KMT2AALOX5OR51E2MTNR1A
SCHEMBL2378930 0.88 MEN1 (0.65) MEN1KMT2AALOX5OR51E2MTNR1A
SCHEMBL2376785 0.86 MEN1 (0.67) MEN1KMT2AALOX5OR51E2MTNR1A
SCHEMBL13937769 0.86 ALOX5 (0.52) ALOX5OR51E2MTNR1AMTNR1B
SCHEMBL14432087 0.85 KMT2A (0.66) MEN1KMT2AALOX5OR51E2MTNR1A
SCHEMBL12601801 0.85 ALOX5 (0.82) ALOX5OR51E2MTNR1AMTNR1BTRPV1
SCHEMBL19789513 0.82 MEN1 (0.65) MEN1KMT2AALOX5OR51E2
SCHEMBL9426051 0.81 CYP1A2 (0.66) ALOX5OR51E2MTNR1AMTNR1BTRPV1
SCHEMBL14703885 0.81 CA1 (0.75) ALOX5OR51E2MTNR1AMTNR1B
SCHEMBL4022887 0.81 KMT2A (0.87) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067171-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH OPTIMIZED TASTE HENKEL AG & CO. KGAA (DE) 2016-03-10 US disclosed
US-20160067169-A1 TOOTHPASTE CONTAINING FLUORIDE AND POLYLACTIC ACID PARTICLES HENKEL AG & CO. KGAA (DE) 2016-03-10 US disclosed
US-20160067168-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR SENSITIVE TEETH HENKEL AG & CO. KGAA (DE) 2016-03-10 US disclosed
US-20160067170-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH IMPROVED ANTI-BACTERIAL ACTION HENKEL AG & CO. KGAA (DE) 2016-03-10 US disclosed
EP-2476406-A2 Oral and tooth care and cleaning agents with improved antibacterial effect II Henkel AG & Co. KGaA (DE) 2012-07-18 EP disclosed
EP-2462916-A2 Oral and tooth care and cleaning agents with improved antibacterial effect I Henkel AG & Co. KGaA (DE) 2012-06-13 EP disclosed
EP-2347754-A2 Oral and tooth care and cleaning agents with alkylpyridine salts I Henkel AG & Co. KGaA (DE) 2011-07-27 EP disclosed
EP-2332514-A1 Antibacterial oral and tooth care and cleaning agents with silver Henkel AG & Co. KGaA (DE) 2011-06-15 EP disclosed
EP-2138152-A2 Sparkling-prickling mouthwash preparations Henkel AG & Co. KGaA (DE) 2009-12-30 EP disclosed
EP-2111853-A1 Oral and tooth care and cleaning agents with pomegranate extract Henkel AG & Co. KGaA (DE) 2009-10-28 EP disclosed
EP-1880705-A2 Brightening and/or colouring composition with improved product sensation HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed
EP-1842573-A2 Brightening and/or colouring agent with improved product sensation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-10-10 EP disclosed
WO-2007085428-A2 MOUTH AND TOOTH CARE AND CLEANSING AGENT COMPRISING ENZYMES HENKEL AG & CO. KGAA (DE) 2007-08-02 WO disclosed
EP-1806124-A1 Dental preparations comprising enzymes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-07-11 EP disclosed
EP-1806126-A1 Dental preparations comprising enzymes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-07-11 EP disclosed
WO-2007068403-A2 REMINERALIZING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-06-21 WO disclosed
EP-1774953-A2 Mouthwash concentrate Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-18 EP disclosed
EP-1774955-A2 Ready-to-use mounthwash Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-18 EP disclosed
EP-1774956-A2 Mouthwash and dentifrice and cleansing composition Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-18 EP disclosed
EP-1774954-A2 Mouthwash and dentifrice and cleansing composition Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-18 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 (4 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-20160067170-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH IMPROVED ANTI-BACTERIAL ACTION USP39, USP30, SOD1 MEN1 4470/4885KMT2A 2257/4885ALOX5 2448/4885
US-20160067168-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR SENSITIVE TEETH SI, H1-0, POLD1 MEN1 2825/4885KMT2A 2318/4885ALOX5 3060/4885
US-20160067171-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH OPTIMIZED TASTE SORD, TAS2R40, TREH MEN1 1743/4885KMT2A 1808/4885ALOX5 2512/4885
US-20160067169-A1 TOOTHPASTE CONTAINING FLUORIDE AND POLYLACTIC ACID PARTICLES PUF60, POLI, FIP1L1 MEN1 2199/4885KMT2A 680/4885ALOX5 2988/4885

“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.