SCHEMBL4244675

SCHEMBL4244675

C#CCOc1c(OC)cc(C(=O)NCC2(C)CCCCC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
SLC6A5 Q9Y345 11/20 0.58
L3MBTL1 Q9Y468 1/20 0.50
HTR2A P28223 2/20 0.48
P2RX3 P56373 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL4244663 0.89 TP53 (0.58) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL2292348 0.88 TP53 (0.77) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL4249716 0.87 SLC6A5 (0.58) TP53SLC6A5L3MBTL1TDP1MEN1
SCHEMBL12850756 0.86 TP53 (0.52) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL4603996 0.86 TP53 (0.55) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL4249769 0.85 TP53 (0.43) TP53SLC6A5L3MBTL1P2RX3NPC1
SCHEMBL3230103 0.83 TP53 (0.54) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL4248415 0.82 TP53 (0.53) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL12413484 0.81 TP53 (0.69) TP53SLC6A5L3MBTL1HTR2AP2RX3
SCHEMBL4241531 0.79 SLC6A5 (0.47) TP53SLC6A5L3MBTL1HTR2AP2RX3

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 6 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-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-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-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA TP53 4555/4885SLC6A5 3917/4885L3MBTL1 974/4885

“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.