SCHEMBL12196002

SCHEMBL12196002

O=C(NC1CCCCC1)OCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 1.00
ALDH1A1 P00352 3/20 0.54
NAAA Q02083 1/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL1171950 0.84 EPHX1 (0.72) EPHX1NAAAHPGDKMT2A
SCHEMBL2199000 0.84 EPHX1 (0.72) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15975484 0.83 EPHX1 (0.71) EPHX1NAAALMNAHPGDMEN1
SCHEMBL1690703 0.82 EPHX1 (0.69) EPHX1NAAA
SCHEMBL13625190 0.79 EPHX1 (0.65) EPHX1ALDH1A1NAAAKMT2A
SCHEMBL25236588 0.77 EPHX1 (0.61) EPHX1
Nitrobenzene SCHEMBL28019505 0.76 EPHX1 (0.67) EPHX1ALDH1A1MEN1KMT2A
SCHEMBL25285565 0.76 EPHX1 (0.60) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL30802295 0.75 SIGMAR1 (0.60) EPHX1ALDH1A1MAPTLMNA
SCHEMBL13625188 0.75 EPHX1 (0.78) EPHX1ALDH1A1NAAAMAPT

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 613/4885NAAA 294/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885ALDH1A1 741/4885NAAA 407/4885

“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.