SCHEMBL5947896

SCHEMBL5947896

O=C(NCCC(c1cccc(Cl)c1)c1cccc(Cl)c1)c1ccc(CCN2CCCC2)nc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.80
▸ ALDH1A1 P00352 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CACNA1G O43497 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CSNK2A2 P19784 2/20 0.42
▸ CSNK2B P67870 2/20 0.42
▸ CSNK2A1 P68400 2/20 0.42
▸ CSNK2A3 Q8NEV1 2/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL5947710 0.89 EPHX2 (1.00) EPHX2
SCHEMBL5948088 0.89 EPHX2 (0.80) EPHX2MCHR1CACNA1G
SCHEMBL5947898 0.89 EPHX2 (0.83) EPHX2ALDH1A1MCHR1
SCHEMBL5947834 0.85 EPHX2 (0.58) EPHX2ALDH1A1MCHR1HRH3CACNA1G
SCHEMBL5947791 0.83 EPHX2 (0.83) EPHX2
SCHEMBL5948093 0.82 EPHX2 (0.72) EPHX2
SCHEMBL5947649 0.81 EPHX2 (0.70) EPHX2
SCHEMBL5948084 0.79 EPHX2 (0.76) EPHX2
SCHEMBL5947970 0.79 EPHX2 (0.76) EPHX2
SCHEMBL5947967 0.79 EPHX2 (0.57) EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 — — 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 (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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885ALDH1A1 385/4885MCHR1 4524/4885

“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.

Send feedback