SCHEMBL9921185

SCHEMBL9921185

COc1cc(/C=C/C(=O)NCc2ccc(O)c(CO)c2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.71
MMP2 P08253 2/20 0.71
MMP8 P22894 2/20 0.71
NFKB1 P19838 2/20 0.71
TYR P14679 3/20 0.65
ACHE P22303 1/20 0.64
TRPV1 Q8NER1 1/20 0.63
MMP13 P45452 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.60
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
PTGES O14684 1/20 0.60

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
SCHEMBL12299018 0.92 TYR (0.73) MMP9NFKB1TYRACHETRPV1
SCHEMBL1916293 0.92 TYR (0.73) MMP9NFKB1TYRACHETRPV1
SCHEMBL9921168 0.90 TYR (0.80) MMP9MMP2MMP8NFKB1TYR
SCHEMBL9921165 0.90 TYR (0.80) MMP9MMP2MMP8NFKB1TYR
SCHEMBL7521409 0.90 TYR (0.79) MMP9NFKB1TYRACHETRPV1
SCHEMBL7521416 0.90 TYR (0.79) MMP9NFKB1TYRACHETRPV1
SCHEMBL7523925 0.87 TYR (0.71) MMP9MMP2NFKB1TYRACHE
SCHEMBL14164369 0.87 TYR (0.70) MMP9NFKB1TYRACHETRPV1
SCHEMBL7523933 0.87 TYR (0.71) MMP9MMP2NFKB1TYRACHE
SCHEMBL12246735 0.85 TYR (0.63) MMP9NFKB1TYRACHETRPV1

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-20160067168-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR SENSITIVE TEETH 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-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-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-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
EP-1774955-A2 Ready-to-use mounthwash 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 MMP9 625/4885MMP2 1098/4885MMP8 1351/4885
US-20160067168-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR SENSITIVE TEETH SI, H1-0, POLD1 MMP9 2356/4885MMP2 1331/4885MMP8 1784/4885
US-20160067171-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH OPTIMIZED TASTE SORD, TAS2R40, TREH MMP9 3679/4885MMP2 3696/4885MMP8 3272/4885
US-20160067169-A1 TOOTHPASTE CONTAINING FLUORIDE AND POLYLACTIC ACID PARTICLES PUF60, POLI, FIP1L1 MMP9 1080/4885MMP2 808/4885MMP8 873/4885

“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.