SCHEMBL4244994

SCHEMBL4244994

C#CCOc1ccc(C(=O)NC2CCCCC2CC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
CYP2B6 P20813 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE4B Q07343 5/20 0.42
PDE4D Q08499 4/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42
TSHR P16473 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 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
SCHEMBL4248628 0.88 TAS1R3 (0.64) TAS1R3TAS1R1CYP2B6ALDH1A1
SCHEMBL2286615 0.88 TAS1R3 (0.50) TAS1R3TAS1R1CYP2B6ALDH1A1HPGD
SCHEMBL4247590 0.88 TAS1R3 (0.64) TAS1R3TAS1R1CYP2B6ALDH1A1
SCHEMBL2286624 0.88 TAS1R3 (0.50) TAS1R3TAS1R1CYP2B6ALDH1A1HPGD
SCHEMBL4240828 0.88 TAS1R3 (0.64) TAS1R3TAS1R1CYP2B6ALDH1A1
SCHEMBL2286621 0.88 TAS1R3 (0.50) TAS1R3TAS1R1CYP2B6ALDH1A1HPGD
SCHEMBL4247975 0.87 TAS1R3 (0.52) TAS1R3TAS1R1CYP2B6ALDH1A1HPGD
SCHEMBL4248917 0.86 KMT2A (0.55) CYP2B6ALDH1A1HPGDAPOBEC3GMEN1
SCHEMBL4241497 0.85 TAS1R3 (0.61) TAS1R3TAS1R1CYP2B6ALDH1A1CYP2D6
SCHEMBL4248772 0.85 KMT2A (0.57) CYP2B6ALDH1A1HPGDAPOBEC3GMEN1

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 885/4885CYP2B6 2145/4885

“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.