SCHEMBL3226271

SCHEMBL3226271

O=C(NCCCCCC=C(F)C(=O)O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.69
ALOX5 P09917 1/20 0.65
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
HTT P42858 1/20 0.58

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
SCHEMBL13651418 1.00 EPHX2 (0.69) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL4007923 1.00 EPHX2 (0.69) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL13651417 0.89 EPHX2 (0.68) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL4011015 0.89 EPHX2 (0.68) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL13651419 0.89 EPHX2 (0.68) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL4011018 0.89 EPHX2 (0.68) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL4010213 0.86 EPHX2 (0.64) EPHX2ALOX5
SCHEMBL4010209 0.86 EPHX2 (0.64) EPHX2ALOX5
SCHEMBL4016032 0.86 EPHX2 (0.68) EPHX2ALOX5HDAC3HDAC1HDAC7
SCHEMBL4128506 0.86 EPHX2 (0.68) EPHX2ALOX5HDAC3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
US-20100063583-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY VASCULAR DISEASES ARETE THERAPEUTICS, INC. 2010-03-11 US disclosed
WO-2010025043-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY VASCULAR DISEASES ARETE THERAPEUTICS, INC. (US) 2010-03-04 WO disclosed
US-20090270452-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF SMOOTH MUSCLE DISORDERS ARETE THERAPEUTICS, INC. 2009-10-29 US disclosed
WO-2009129501-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF SMOOTH MUSCLE DISORDERS ARETE THERAPEUTICS, INC. (US) 2009-10-22 WO disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 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 (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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG EPHX2 5/4885ALOX5 38/4885HDAC3 3550/4885
US-20090270452-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF SMOOTH MUSCLE DISORDERS EPHX1, PTGIS, PDE3A EPHX2 6/4885ALOX5 33/4885HDAC3 3087/4885
US-20100063583-A1 USE OF SOLUBLE EPOXIDE HYDROLASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY VASCULAR DISEASES ALOX15B, ALOX15, ALOX12 EPHX2 6/4885ALOX5 4/4885HDAC3 2283/4885

“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.