SCHEMBL5947967

SCHEMBL5947967

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.57
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CASR P41180 1/20 0.48
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2J2 P51589 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL4918238 0.86 EPHX2 (0.74) EPHX2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL5947956 0.86 EPHX2 (0.63) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5948096 0.85 EPHX2 (0.58) EPHX2CYP2C9CYP2C19CASRNPC1
SCHEMBL5948045 0.84 EPHX2 (0.53) EPHX2CYP2C9CYP2C19CASRNPC1
SCHEMBL5947757 0.82 EPHX2 (0.72) EPHX2CYP2C9CYP2C19CASRNPC1
SCHEMBL5947948 0.81 EPHX2 (0.79) EPHX2CYP2C9CYP2C19CYP2J2MAPT
SCHEMBL5947896 0.79 EPHX2 (0.80) EPHX2ALDH1A1
SCHEMBL5948115 0.78 EPHX2 (0.57) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5948014 0.78 EPHX2 (0.53) EPHX2CYP2C9CYP2C19CASRMEN1
SCHEMBL5948060 0.78 EPHX2 (0.72) EPHX2CYP2C9CYP2C19NPC1RAB9A

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 2/4885CYP2C9 477/4885CYP2C19 1179/4885

“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.

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