SCHEMBL4244077

SCHEMBL4244077

C#CCOc1ccc(C(=O)NCC2CCCCC2C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
PDE4D Q08499 6/20 0.46
CYP2B6 P20813 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ROCK2 O75116 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4244608 0.87 TDP1 (0.59) PDE4APDE4BPDE4CPDE4DCYP2B6
SCHEMBL4244977 0.86 TDP1 (0.61) PDE4APDE4BPDE4CPDE4DCYP2B6
SCHEMBL4242220 0.85 TDP1 (0.56) PDE4APDE4BPDE4CPDE4DCYP2B6
SCHEMBL4246249 0.85 MAPK14 (0.54) PDE4APDE4BPDE4CPDE4DCYP2B6
SCHEMBL4240828 0.83 TAS1R3 (0.64) CYP2B6KDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL4247590 0.83 TAS1R3 (0.64) CYP2B6KDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL4245835 0.83 MAPK14 (0.51) PDE4APDE4BPDE4CPDE4DCYP2B6
SCHEMBL4248628 0.83 TAS1R3 (0.64) CYP2B6KDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL14538317 0.83 TDP1 (0.43) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL4245820 0.82 TDP1 (0.47) PDE4APDE4BPDE4CPDE4DCYP2B6

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 PDE4A 3091/4885PDE4B 2831/4885PDE4C 3110/4885

“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.