SCHEMBL9921168

SCHEMBL9921168

COc1cc(/C=C/C(=O)NCCc2ccc(O)c(CO)c2)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.80
ACHE P22303 1/20 0.80
MMP2 P08253 1/20 0.67
MMP9 P14780 1/20 0.67
NFKB1 P19838 1/20 0.67
MMP8 P22894 1/20 0.67
APP P05067 1/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
TRPV1 Q8NER1 1/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
ALOX5 P09917 1/20 0.57

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
SCHEMBL9921165 1.00 TYR (0.80) TYRACHEMMP2MMP9NFKB1
SCHEMBL29367201 0.91 TYR (0.91) TYRACHEAPPMAOAMAOB
SCHEMBL1842826 0.91 TYR (0.91) TYRACHEAPPMAOAMAOB
SCHEMBL29363766 0.91 TYR (0.91) TYRACHEAPPMAOAMAOB
SCHEMBL31252895 0.91 TYR (0.91) TYRACHEAPPMAOAMAOB
SCHEMBL4812187 0.91 TYR (0.91) TYRACHEAPPMAOAMAOB
SCHEMBL1917145 0.91 TYR (0.91) TYRACHEAPPMAOAMAOB
SCHEMBL9921185 0.90 MMP9 (0.71) TYRACHEMMP2MMP9NFKB1
N-Trans-Feruloyldopamine SCHEMBL1915822 0.89 TYR (1.00) TYRACHEMMP2MMP9NFKB1
N-Trans-Feruloyldopamine SCHEMBL31061232 0.89 TYR (1.00) TYRACHEMMP2MMP9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067168-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR SENSITIVE TEETH HENKEL AG & CO. KGAA (DE) 2016-03-10 US disclosed
US-20160067171-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH OPTIMIZED TASTE 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
US-20160067169-A1 TOOTHPASTE CONTAINING FLUORIDE AND POLYLACTIC ACID PARTICLES 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-2111853-A1 Oral and tooth care and cleaning agents with pomegranate extract Henkel AG & Co. KGaA (DE) 2009-10-28 EP disclosed
EP-2025319-A2 Numbing oral and tooth care and cleaning agents Henkel AG & Co. KGaA (DE) 2009-02-18 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-1806126-A1 Dental preparations comprising enzymes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-07-11 EP disclosed
EP-1806124-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-1774955-A2 Ready-to-use mounthwash 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
EP-1774953-A2 Mouthwash concentrate 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

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 TYR 780/4885ACHE 850/4885MMP2 1098/4885
US-20160067168-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR SENSITIVE TEETH SI, H1-0, POLD1 TYR 4693/4885ACHE 1746/4885MMP2 1331/4885
US-20160067171-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH OPTIMIZED TASTE SORD, TAS2R40, TREH TYR 2719/4885ACHE 492/4885MMP2 3696/4885
US-20160067169-A1 TOOTHPASTE CONTAINING FLUORIDE AND POLYLACTIC ACID PARTICLES PUF60, POLI, FIP1L1 TYR 3652/4885ACHE 1578/4885MMP2 808/4885

“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.