SCHEMBL13875980

SCHEMBL13875980

CC(C)(C)C(=O)c1ccnc(OCC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ JMJD6 Q6NYC1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ NR2E1 Q9Y466 1/20 0.35
▸ GSK3A P49840 1/20 0.35

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
SCHEMBL2713663 0.85 EPHX2 (0.52) EPHX2L3MBTL1JMJD6ALDH1A1GABRA5
SCHEMBL30403546 0.85 EPHX2 (0.52) EPHX2L3MBTL1JMJD6ALDH1A1GABRA5
SCHEMBL13875976 0.83 PROKR1 (0.44) JMJD6MAPT
SCHEMBL796410 0.83 L3MBTL1 (0.60) EPHX2L3MBTL1JMJD6ALDH1A1GABRA5
SCHEMBL27913659 0.82 EPHX2 (0.50) EPHX2L3MBTL1JMJD6ALDH1A1GABRA5
SCHEMBL30281370 0.82 EPHX2 (0.52) EPHX2L3MBTL1JMJD6MAPTGSK3B
SCHEMBL13890805 0.81 EPHX2 (0.52) EPHX2L3MBTL1JMJD6GABRA5MAPT
SCHEMBL13875972 0.80 KCNK3 (0.48) ALDH1A1GSK3BKDM4ENR2E1
SCHEMBL31191107 0.79 EPHX2 (0.53) EPHX2L3MBTL1JMJD6GABRA5MAPT
SCHEMBL22837053 0.79 KCNK3 (0.35) EPHX2MAPTGSK3BNR2E1

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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 — — 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885L3MBTL1 4642/4885JMJD6 400/4885

“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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