SCHEMBL13701698

SCHEMBL13701698

CC(C)(C)NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.59
CHRNB4 P30926 3/20 0.59
CHRNA3 P32297 3/20 0.59
CHRNA4 P43681 3/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
ABCB1 P08183 1/20 0.52
BCAT2 O15382 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX5AP P20292 1/20 0.51
FEN1 P39748 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL7303110 0.88 MAPT (0.54) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL10172579 0.85 KAT6A (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL11495204 0.85 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL7305639 0.83 MAPT (0.49) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL6748722 0.82 MAPT (0.61) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL530569 0.82 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL7606412 0.81 L3MBTL1 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL9383059 0.80 ALOX5AP (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14357551 0.79 ALDH1A1 (0.56) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL29643318 0.79 ALDH1A1 (0.56) MEN1KMT2AMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362190-A Preparation method of polysubstituted olefin 广东工业大学 2024-01-09 CN disclosed
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 CHRNB2 3917/4885CHRNB4 3841/4885CHRNA3 3378/4885

“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.