SCHEMBL13701807

SCHEMBL13701807

CCCn1cc(C(=O)NC(C)(C)C)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
BRD2 P25440 2/20 0.45
BRD3 Q15059 2/20 0.45
BRDT Q58F21 2/20 0.45
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
EPHX2 P34913 2/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IMPDH2 P12268 1/20 0.36

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
SCHEMBL13701808 0.88 BRD4 (0.45) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13701804 0.88 BRD4 (0.47) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13701759 0.86 EPHX2 (0.46) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13701646 0.85 EPHX2 (0.59) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13701773 0.83 SMN1; SMN2 (0.45) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13701792 0.83 EPHX2 (0.42) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13701769 0.83 LMNA (0.43) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13701750 0.82 BRD4 (0.40) BRD4BRD2BRD3BRDTLMNA
SCHEMBL13701777 0.82 SMN1; SMN2 (0.46) BRD4BRD2BRD3BRDTHTT
SCHEMBL13701756 0.81 SMN1; SMN2 (0.54) EPHX2POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX BRD4 2517/4885BRD2 3424/4885BRD3 2358/4885

“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.