SCHEMBL4241497

SCHEMBL4241497

C#CCOc1ccc(C(=O)NC2CCCC2C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 14/20 0.61
TAS1R1 Q7RTX1 13/20 0.61
TAS1R2 Q8TE23 10/20 0.49
CYP2B6 P20813 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MLYCD O95822 1/20 0.44

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
SCHEMBL4240828 0.98 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2CYP2B6KDM4E
SCHEMBL4247590 0.98 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2CYP2B6KDM4E
SCHEMBL4248628 0.98 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2CYP2B6KDM4E
SCHEMBL4251853 0.94 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2CYP2B6CYP2D6
SCHEMBL4246508 0.87 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2MLYCD
SCHEMBL2286621 0.87 TAS1R3 (0.50) TAS1R3TAS1R1CYP2B6ALDH1A1CYP2D6
SCHEMBL2286624 0.87 TAS1R3 (0.50) TAS1R3TAS1R1CYP2B6ALDH1A1CYP2D6
SCHEMBL2286615 0.87 TAS1R3 (0.50) TAS1R3TAS1R1CYP2B6ALDH1A1CYP2D6
SCHEMBL4248958 0.87 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2
SCHEMBL4247975 0.86 TAS1R3 (0.52) TAS1R3TAS1R1CYP2B6ALDH1A1CYP2D6

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 8 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
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO 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 TAS1R3 1939/4885TAS1R1 885/4885TAS1R2 1150/4885

“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.