SCHEMBL4258016

SCHEMBL4258016

O=C(Nc1ccc(OCCCN2CCOCC2)cc1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 1.00
AURKA O14965 4/20 0.71
AURKB Q96GD4 4/20 0.71
GAA P10253 1/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
HRH3 Q9Y5N1 2/20 0.59
BMPR1B O00238 1/20 0.59
BMPR1A P36894 1/20 0.59
TGFBR1 P36897 1/20 0.59
ACVRL1 P37023 1/20 0.59
ACVR1 Q04771 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
SCHEMBL4256223 0.88 EPHX2 (1.00) EPHX2AURKAAURKB
SCHEMBL4262990 0.84 EPHX2 (1.00) EPHX2AURKAAURKBGAANPC1
SCHEMBL4256144 0.82 EPHX2 (1.00) EPHX2
SCHEMBL4264251 0.81 EPHX2 (1.00) EPHX2HRH3
SCHEMBL4266421 0.78 EPHX2 (1.00) EPHX2GAA
SCHEMBL4262609 0.78 EPHX2 (1.00) EPHX2HRH3
SCHEMBL4257596 0.78 EPHX2 (0.64) EPHX2AURKAAURKB
SCHEMBL13949472 0.78 EPHX2 (0.64) EPHX2AURKAAURKB
SCHEMBL12932148 0.77 EPHX2 (1.00) EPHX2
SCHEMBL4256229 0.77 EPHX2 (0.64) EPHX2AURKAAURKB

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-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-01-22 US claimed
US-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-01-22 US disclosed
US-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-01-22 US disclosed
US-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-01-22 US disclosed
WO-2008116145-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-25 WO disclosed
WO-2008116145-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-25 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 (1 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-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX2 2/4885AURKA 4806/4885AURKB 4534/4885

“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.