SCHEMBL4251680

SCHEMBL4251680

C#CCOc1c(OC)cc(C(=O)NC2CCCCC2O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44
CNR1 P21554 5/20 0.43
MAPK1 P28482 1/20 0.43
OPRK1 P41145 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
TACR2 P21452 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL4249936 0.89 TAS1R3 (0.55) TDP1POLBTAS1R3TAS1R1
SCHEMBL4249013 0.88 TDP1 (0.44) TDP1POLBMAPK1OPRK1SIRT5
SCHEMBL4248615 0.87 MEN1 (0.54) TDP1POLBMAPK1OPRK1SIRT5
SCHEMBL2286621 0.87 TAS1R3 (0.50) CNR1TACR2TAS1R3TAS1R1MEN1
SCHEMBL2286624 0.87 TAS1R3 (0.50) CNR1TACR2TAS1R3TAS1R1MEN1
SCHEMBL2286615 0.87 TAS1R3 (0.50) CNR1TACR2TAS1R3TAS1R1MEN1
SCHEMBL4248958 0.87 TAS1R3 (0.52) TDP1MAPK1OPRK1SIRT5TAS1R3
SCHEMBL4242233 0.86 MEN1 (0.56) TDP1POLBMAPK1OPRK1SIRT5
SCHEMBL4249996 0.85 MAPK1 (0.53) TDP1POLBMAPK1OPRK1SIRT5
SCHEMBL4249309 0.84 CNR1 (0.44) CNR1TACR2TAS1R3TAS1R1

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 TDP1 3052/4885POLB 2260/4885CNR1 617/4885

“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.