SCHEMBL965544

SCHEMBL965544

[C]#CCCCC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA4 P43681 1/20 0.45
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.33
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL966364 0.86
SCHEMBL16802474 0.77 ALDH1A1 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL131476 0.77 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL5948495 0.77 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL3189950 0.75 ALDH1A1 (0.70) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL27904379 0.73 ALDH1A1 (0.61) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL2077370 0.73 ALDH1A1 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL19548998 0.71 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL1191256 0.71 ALDH1A1 (0.63) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
SCHEMBL968146 0.70

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101790511-B Halogen-containing organosulfur compounds and uses thereof SUMITOMO CHEMICAL CO 2013-12-11 CN disclosed
US-8513162-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-20 US disclosed
US-8344163-B2 Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-8247596-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-20 US disclosed
EP-2376450-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2011-10-19 EP disclosed
EP-2347653-A2 Animal ectoparasite control composition Sumitomo Chemical Company, Limited (JP) 2011-07-27 EP disclosed
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 US disclosed
US-20110021627-A1 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 US disclosed
EP-2265569-A2 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2010-12-29 EP disclosed
CN-101790511-A Halogen-containing organosulfur compounds and uses thereof SUMITOMO CHEMICAL CO 2010-07-28 CN disclosed
WO-2010074327-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUNDS AND USE THEREOF FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-01 WO disclosed
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2162429-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-03-17 EP disclosed
WO-2009116687-A2 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 WO disclosed
WO-2009005110-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 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 (4 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-20110021627-A1 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST C5, OR10J3, NOX3 ALDH1A1 2305/4885CHRNB2 1479/4885CHRNB4 239/4885
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 ALDH1A1 2168/4885CHRNB2 2735/4885CHRNB4 1820/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 ALDH1A1 1797/4885CHRNB2 3380/4885CHRNB4 2799/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 ALDH1A1 1174/4885CHRNB2 4072/4885CHRNB4 3913/4885

“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.