SCHEMBL1108642

SCHEMBL1108642

CCCNC(=O)NC1CC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.81
KDM4E B2RXH2 1/20 0.81
ALDH1A1 P00352 1/20 0.81
EPHX2 P34913 5/20 0.61
KMT2A Q03164 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
SCHEMBL15262988 1.00 EPHX1 (0.81) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL2751260 0.92 EPHX1 (0.96) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL12196028 0.90 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL6357682 0.90 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL15515250 0.88 EPHX1 (0.74) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL15263125 0.88 EPHX1 (0.74) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL13102938 0.87 EPHX1 (0.77) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL25510639 0.86 EPHX1 (0.83) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL13102972 0.85 EPHX1 (0.67) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL14252360 0.84 EPHX1 (0.65) EPHX1KDM4EALDH1A1EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US disclosed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP disclosed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
US-8501941-B2 Methods for the synthesis of unsymmetrical cycloakyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-8501941-B2 Methods for the synthesis of unsymmetrical cycloakyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-8420813-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-8420813-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-20120226040-A1 METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOAKYL SUBSTITUTED XANTHINES DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-06 US disclosed
US-7601723-B2 Pyridyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-13 US disclosed
US-7601723-B2 Pyridyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-13 US disclosed
US-7598379-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-06 US disclosed
US-7598379-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-06 US disclosed
US-20070105821-A1 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines ALLERGAN SALES, LLC 2007-05-10 US disclosed
US-20070105821-A1 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines ALLERGAN SALES, LLC 2007-05-10 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 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 (5 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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 EPHX1 816/4885KDM4E 3621/4885ALDH1A1 881/4885
US-20120226040-A1 METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOAKYL SUBSTITUTED XANTHINES ADORA2B, ADORA2A, ADORA3 EPHX1 1171/4885KDM4E 3204/4885ALDH1A1 1236/4885
US-20070105821-A1 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines ADORA2B, ADORA2A, ADORA3 EPHX1 863/4885KDM4E 3136/4885ALDH1A1 795/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD EPHX1 1860/4885KDM4E 2664/4885ALDH1A1 24/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A EPHX1 2073/4885KDM4E 4295/4885ALDH1A1 1539/4885

“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.