SCHEMBL12196017

SCHEMBL12196017

CCCCCCCCCCCCNC(=O)CC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.61
KEAP1 Q14145 3/20 0.58
NFE2L2 Q16236 3/20 0.58
EPHX1 P07099 11/20 0.58
EPHX2 P34913 3/20 0.58
METAP2 P50579 1/20 0.55
CASP2 P42575 1/20 0.53

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
SCHEMBL8848096 1.00 NAAA (0.61) NAAAKEAP1NFE2L2EPHX1EPHX2
SCHEMBL15688611 1.00 NAAA (0.61) NAAAKEAP1NFE2L2EPHX1EPHX2
SCHEMBL8847557 0.98 KEAP1 (0.60) NAAAKEAP1NFE2L2EPHX1EPHX2
Hydrochloric Acid SCHEMBL30884882 0.97 NAAA (0.57) NAAAKEAP1NFE2L2EPHX1EPHX2
SCHEMBL628952 0.93 KEAP1 (0.57) NAAAKEAP1NFE2L2EPHX1EPHX2
SCHEMBL6359085 0.91 KEAP1 (0.55) NAAAKEAP1NFE2L2EPHX1EPHX2
SCHEMBL641051 0.90 CASP2 (0.55) NAAAKEAP1NFE2L2EPHX1EPHX2
SCHEMBL15680573 0.88 KEAP1 (0.66) KEAP1NFE2L2EPHX1EPHX2
SCHEMBL6627703 0.87 KEAP1 (0.52) NAAAKEAP1NFE2L2EPHX1EPHX2
SCHEMBL8848512 0.86 EPHX2 (0.55) KEAP1NFE2L2EPHX1EPHX2

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 NAAA 294/4885KEAP1 142/4885NFE2L2 842/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 NAAA 407/4885KEAP1 123/4885NFE2L2 472/4885

“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.