SCHEMBL12799697

SCHEMBL12799697

C#CCOc1c(OC)cc(C(C)=O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HTT P42858 2/20 0.47
MAOB P27338 2/20 0.46
PDE4B Q07343 1/20 0.44
CYP2B6 P20813 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
KMT2A Q03164 4/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ACHE P22303 1/20 0.39
BPTF Q12830 1/20 0.39
TPMT P51580 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL12799728 0.90 LMNA (0.45) LMNAHTTMAOBPDE4BCYP2B6
SCHEMBL2289816 0.87 TPMT (0.54) LMNAHTTPDE4BCYP2B6L3MBTL1
SCHEMBL2284030 0.86 HTT (0.49) HTTPDE4BCYP2B6L3MBTL1DRD2
Hydrochloric Acid SCHEMBL4244877 0.86 TPMT (0.53) LMNAHTTPDE4BCYP2B6L3MBTL1
SCHEMBL2283971 0.84 SLC29A1 (0.46) HTTPDE4B
SCHEMBL12799701 0.81 MAOB (0.63) MAOBPDE4BCYP2B6L3MBTL1KMT2A
SCHEMBL3226220 0.79 TPMT (0.49) HTTPDE4BCYP2B6L3MBTL1KMT2A
SCHEMBL12377620 0.79 MAOB (0.38) HTTMAOB
SCHEMBL2743855 0.78 HTT (0.66) LMNAHTTCYP2B6GAA
SCHEMBL3223660 0.78 HTT (0.45) HTTPDE4BCYP2B6L3MBTL1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA LMNA 3192/4885HTT 1567/4885MAOB 1787/4885
US-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA LMNA 3399/4885HTT 1696/4885MAOB 2124/4885

“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.