SCHEMBL13899705

SCHEMBL13899705

Cc1ccc([C@]23NC(=O)N[C@@]2(C)NC(=O)N3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.37
ADAM17 P78536 1/20 0.35
MGAT2 Q10469 3/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRNA1 P02708 1/20 0.31

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
SCHEMBL3975525 0.82 MMP2 (0.48) ALDH1A1ADAM17KCNH2MMP2MMP9
SCHEMBL14350057 0.78 MMP2 (0.35) MAPK1ALDH1A1ADAM17MGAT2SLC6A2
SCHEMBL542561 0.68 LMNA (0.53) MAPK1ALDH1A1ADAM17KCNH2HSD17B10
SCHEMBL20134878 0.68 LMNA (0.53) MAPK1ALDH1A1ADAM17KCNH2HSD17B10
SCHEMBL9717712 0.67 POLB (0.32) KDM4ELMNAPOLB
SCHEMBL13527600 0.67 POLB (0.32) KDM4ELMNAPOLB
SCHEMBL3968265 0.66 CNR1 (0.39) ALDH1A1KCNH2MMP2MMP9CYP2C9
SCHEMBL10521481 0.65 CYP2C9 (0.64) ALDH1A1ADAM17SLC6A2SLC6A3SLC6A4
SCHEMBL5447642 0.64 MMP2 (0.44) ALDH1A1ADAM17SLC6A2SLC6A3SLC6A4
SCHEMBL19732182 0.61 ACHE (0.44) ALDH1A1SLC6A2SLC6A3SLC6A4KCNH2

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
US-7501523-B2 reacting an oligomer consisting of 2-11 linked glycolurils or analogues with one or more compounds selected from glycoluril, glycoluril analogues and/or oligomers of glycoluril or glycoluril analogues, in the presence of an acid, and a template (dimethylaminobenzaldehyde) to form a cucurbit(n)uril NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2009-03-10 US disclosed
US-20070287836-A1 Method for Preparing Compounds Comprising Cucurbituril Groups NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2007-12-13 US disclosed
US-20070066818-A1 Method for preparing cucurbiturils ANTHONY IVAN DAY (AU) 2007-03-22 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 (2 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-20070287836-A1 Method for Preparing Compounds Comprising Cucurbituril Groups ACSL6, AGL, LIPA MAPK1 3587/4885ALDH1A1 93/4885ADAM17 4391/4885
US-20070066818-A1 Method for preparing cucurbiturils AGL, UGCG, MGLL MAPK1 3168/4885ALDH1A1 1186/4885ADAM17 4471/4885

“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.