SCHEMBL4138192

SCHEMBL4138192

CCCCCCCCCCNC(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 1.00
ALDH1A1 P00352 2/20 1.00
HTT P42858 1/20 1.00
GHSR Q92847 1/20 0.73
HDAC1 Q13547 2/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
LMNA P02545 1/20 0.66
KDM4E B2RXH2 1/20 0.64
HDAC2 Q92769 1/20 0.62
EPHX2 P34913 3/20 0.61
NAAA Q02083 1/20 0.61
S1PR1 P21453 1/20 0.59

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
SCHEMBL10599308 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL422504 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL5020899 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL4603476 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL813735 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL11671083 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL17119069 1.00 EPHX1 (1.00) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL7722626 0.98 EPHX1 (0.97) EPHX1ALDH1A1HTTGHSRHDAC1
Dimethylamine SCHEMBL9100861 0.97 EPHX1 (0.94) EPHX1ALDH1A1HTTGHSRHDAC1
SCHEMBL4604785 0.93 EPHX1 (0.87) EPHX1ALDH1A1HTTGHSRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 WO disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-4888321-A SUBBING AND RECORDING LAYERS EACH CONTAINING HEAT FUSIBLE MATERIAL WITH DEFINED MELTING POINT FUJI PHOTO FILM CO., LTD. (JP) 1989-12-19 US disclosed
US-4533929-A ANIONIC SURFACTANTS AS ANTIFOGGING AGENTS; DIETHYLHEXYL SULFOSUCCINATE FUJI PHOTO FILM CO., LTD. (JP) 1985-08-06 US disclosed
US-4520377-A COLOR FORMING LAYER COMO/SED OF ELECTRON DONATING COLORLESS DYE, ELECTRON ACCEPTING COMPOUND, NAPHTHOL UREA AND/OR URETHANE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1985-05-28 US disclosed
US-4401717-A CONTAINING A CHROMOGEN, A PHENOL LAND A UREA OR CARBAMATE; THERMOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 1983-08-30 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 (3 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-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION EPHX1, EPHX2, NCEH1 EPHX1 1/4885ALDH1A1 613/4885HTT 4396/4885
US-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 EPHX1 4403/4885ALDH1A1 4657/4885HTT 3476/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885ALDH1A1 741/4885HTT 4442/4885

“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.