SCHEMBL5947757

SCHEMBL5947757

O=C(NCCC(c1cccc(Cl)c1)c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.72
▸ CASR P41180 3/20 0.60
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALPL P05186 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ GPR139 Q6DWJ6 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ SLC6A9 P48067 1/20 0.52
▸ SLC6A5 Q9Y345 1/20 0.52
▸ CNR1 P21554 1/20 0.51

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
SCHEMBL29182072 0.88 MEN1 (0.61) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5947886 0.86 EPHX2 (0.63) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5948102 0.85 EPHX2 (1.00) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5948063 0.84 EPHX2 (0.79) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL4618812 0.84 EPHX2 (0.79) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5947938 0.83 EPHX2 (0.72) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5947967 0.82 EPHX2 (0.57) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5948045 0.82 EPHX2 (0.53) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL11198968 0.82 CASR (0.56) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5948014 0.81 EPHX2 (0.53) EPHX2CASRCYP2C9CYP2C19MEN1

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 2/4885CASR 4573/4885CYP2C9 477/4885

“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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