SCHEMBL2268684

SCHEMBL2268684

COc1cccnc1C(=O)O.[Zn]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
BLM P54132 1/20 0.53
AGER Q15109 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MYC P01106 1/20 0.47
CYP1A2 P05177 1/20 0.47
CTSA P10619 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL287024 0.98 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1TSHR
Hydrochloric Acid SCHEMBL8882233 0.96 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1TSHR
Alcohol SCHEMBL28974251 0.93 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1TSHR
Tetrahydrofuran SCHEMBL27536674 0.86 KDM4E (0.44) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL5928881 0.83 NFE2L2 (0.48) KDM4EALDH1A1L3MBTL1CA12CA1
SCHEMBL25307682 0.83 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL31019107 0.83 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL312146 0.81 L3MBTL1 (0.60) KDM4EALDH1A1L3MBTL1ALOX15CTSA
SCHEMBL796427 0.81 NFE2L2 (0.47) KDM4EALDH1A1L3MBTL1CA12CA1
SCHEMBL29503858 0.81 PLAU (0.53) L3MBTL1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003688-B2 Method of treating symptoms of common cold, allergic rhinitis and infections relating to the respiratory tract IMMUPHARM APS (DK) 2011-08-23 US disclosed
US-7671086-B2 Pharmaceutical compositions comprising flavonoids and menthol IMMUPHARM A/S (DK) 2010-03-02 US disclosed
US-20090227670-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLAVONOIDS AND MENTHOL IMMUPHARM A/S (DK) 2009-09-10 US disclosed
US-7585890-B2 Pharmaceutical compositions comprising flavonoids and menthol IMMUNPHARM A/S (DK) 2009-09-08 US disclosed
EP-2089422-A1 METHODS OF SEPARATING NUCLEIC ACIDS AND PROTEIN Natimmune A/S (DK) 2009-08-19 EP disclosed
WO-2008106979-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING FLAVONOIDS AND XYLITOL IMMUPHARM A/S (DK) 2008-09-12 WO disclosed
WO-2008064686-A1 METHODS OF SEPARATING NUCLEIC ACIDS AND PROTEIN NATIMMUNE A/S (DK) 2008-06-05 WO disclosed
EP-1556021-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLAVONOIDS AND MENTHOL IMMUPHARM AS (DK) 2007-12-19 EP disclosed
US-7166640-B2 Method of treating symptoms of common cold, allergic rhinitis and infections relating to the respiratory tract IMMUPHARM APS (DK) 2007-01-23 US disclosed
US-20060148726-A1 Pharmaceutical compositions comprising flavonoids and menthol IMMUPHARM A/S C/O NOVI A/S, NIELS JERNES VEJ 10 (DK) 2006-07-06 US disclosed
EP-1307189-B1 USE OF HYDROXYETHYLRUTOSIDES FOR TREATING SYMPTOMS OF COMMON COLD, ALLERGIC RHINITIS AND INFECTIONS RELATING TO THE RESPIRATORY TRACT IMMUPHARM APS (DK) 2006-05-10 EP disclosed
US-20050245467-A1 Method of treating symptoms of common cold, allergic rhinitis and infections relating to the respiratory tract IMMUPHARM APS (DK) 2005-11-03 US disclosed
EP-1556021-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLAVONOIDS AND MENTHOL Immupharm A/S (DK) 2005-07-27 EP disclosed
WO-2004037237-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLAVONOIDS AND MENTHOL IMMUPHARM A/S (DK) 2004-05-06 WO disclosed
US-20040053858-A1 Method of treating symptoms of common cold, allergic rhinitis and infections relating to the respiratory tract IMMUPHARM APS (DK) 2004-03-18 US disclosed
EP-1307189-A2 METHOD OF TREATING SYMPTOMS OF COMMON COLD, ALLERGIC RHINITIS AND INFECTIONS RELATING TO THE RESPIRATORY TRACT Immupharm APS (DK) 2003-05-07 EP disclosed
WO-2002009699-A2 METHOD OF TREATING SYMPTOMS OF COMMON COLD, ALLERGIC RHINITIS AND INFECTIONS RELATING TO THE RESPIRATORY TRACT IMMUPHARM APS (DK) 2002-02-07 WO 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-20060148726-A1 Pharmaceutical compositions comprising flavonoids and menthol CHIA, MAVS, C1QBP KDM4E 430/4885ALDH1A1 1674/4885MAPT 687/4885
US-20050245467-A1 Method of treating symptoms of common cold, allergic rhinitis and infections relating to the respiratory tract CMA1, CHIA, C1QBP KDM4E 4189/4885ALDH1A1 1900/4885MAPT 2199/4885
US-20040053858-A1 Method of treating symptoms of common cold, allergic rhinitis and infections relating to the respiratory tract CMA1, CHIA, C1QBP KDM4E 4189/4885ALDH1A1 1900/4885MAPT 2199/4885
US-20090227670-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLAVONOIDS AND MENTHOL CHIA, MAVS, C1QBP KDM4E 430/4885ALDH1A1 1674/4885MAPT 687/4885

“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.