SCHEMBL4170086

SCHEMBL4170086

CCCCCCN(CC#N)CCCCCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
DNM1 Q05193 3/20 0.44
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 7/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL5081835 1.00 ZDHHC20 (0.49) ZDHHC20ZDHHC2DNM1TSHRCYP1A2
SCHEMBL11023925 0.93 ZDHHC20 (0.46) ZDHHC20ZDHHC2DNM1TSHRCYP1A2
SCHEMBL10646289 0.91 KCNH2 (0.47) ZDHHC20ZDHHC2DNM1KCNH2
SCHEMBL240366 0.90 TSHR (0.43) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1
SCHEMBL19497014 0.88 TSHR (0.42) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1
SCHEMBL19999960 0.85 TSHR (0.43) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1
SCHEMBL31264715 0.83 CYP1A2 (0.41) ZDHHC20ZDHHC2CYP1A2MAPK1KCNH2
SCHEMBL11143458 0.82 ZDHHC20 (0.51) ZDHHC20ZDHHC2DNM1TSHRCYP1A2
SCHEMBL4173370 0.82 CYP1A2 (0.48) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1
SCHEMBL21467473 0.81 KCNH2 (0.44) ZDHHC20ZDHHC2TSHRCYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023942-A1 Method for Producing Bi-Functional Ammonium Nitriles CLARIANT PRODUKTE (DEUTSCHALND) GMBH (DE) 2009-01-22 US claimed
EP-1856034-A1 METHOD FOR PRODUCING BIFUNCTIONAL AMMONIUM NITRILES Clariant Produkte (Deutschland) GmbH (DE) 2007-11-21 EP claimed
WO-2006092247-A1 METHOD FOR PRODUCING BIFUNCTIONAL AMMONIUM NITRILES CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-09-08 WO claimed
US-20090023942-A1 Method for Producing Bi-Functional Ammonium Nitriles CLARIANT PRODUKTE (DEUTSCHALND) GMBH (DE) 2009-01-22 US disclosed
EP-1487955-B1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-05-21 EP disclosed
US-7015185-B2 Ammonium nitriles and the use thereof as hydrophobic bleaching activators CLARIANT GMBH (DE) 2006-03-21 US disclosed
US-20040266644-A1 Ammonium nitriles and the use thereof as hydrophobic bleaching activators CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2004-12-30 US disclosed
EP-1487955-A1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS Clariant GmbH (DE) 2004-12-22 EP disclosed
WO-2003078561-A1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS CLARIANT GMBH (DE) 2003-09-25 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-20090023942-A1 Method for Producing Bi-Functional Ammonium Nitriles DBF4, AADAC, NAAA ZDHHC20 2965/4885ZDHHC2 2829/4885DNM1 1218/4885

“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.