SCHEMBL968654

SCHEMBL968654

[C]#CCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL967274 0.97
SCHEMBL965474 0.85 HRH3 (0.56) HRH3POLBMAPTALDH1A1CYP1A2
SCHEMBL4416469 0.83 HRH3 (0.61) HRH3MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL968015 0.82 HRH3 (0.52) HRH3POLBMAPTLMNACARM1
SCHEMBL4420612 0.80 MAPT (0.61) HRH3POLBMAPTCYP1A2MAPK1
SCHEMBL7286457 0.76 HRH3 (0.50) HRH3POLBMAPTALDH1A1PKM
SCHEMBL2230932 0.75 ALDH1A1 (0.46) HRH3POLBALDH1A1PKMCYP1A2
SCHEMBL296678 0.75
SCHEMBL25432585 0.74 HRH3 (0.48) HRH3POLBMAPTALDH1A1PKM
SCHEMBL15650449 0.74 POLB (0.81) HRH3POLBMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HRH3 241/4885POLB 4754/4885MAPT 4575/4885
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 HRH3 3479/4885POLB 3369/4885MAPT 3152/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 HRH3 82/4885POLB 3076/4885MAPT 4801/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 HRH3 231/4885POLB 3926/4885MAPT 4580/4885

“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.