SCHEMBL1933242

SCHEMBL1933242

CC(C)=NCCCCCCCN=C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DHPS P49366 1/20 0.39
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS2 P35228 4/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NAAA Q02083 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL10432315 1.00 MEN1 (0.43) MEN1KMT2ADHPSCYP1A2SMN1; SMN2
SCHEMBL10900057 1.00 MEN1 (0.43) MEN1KMT2ADHPSCYP1A2SMN1; SMN2
SCHEMBL6421034 0.89 MEN1 (0.33) MEN1KMT2ACYP1A2NOS2ALOX15
SCHEMBL11256246 0.88 MEN1 (0.61) MEN1KMT2ASMN1; SMN2TSHRNAAA
SCHEMBL14406539 0.88 MEN1 (0.61) MEN1KMT2ASMN1; SMN2TSHRNAAA
SCHEMBL13743440 0.88 MEN1 (0.61) MEN1KMT2ASMN1; SMN2TSHRNAAA
SCHEMBL19829480 0.84
SCHEMBL4639736 0.84
SCHEMBL712527 0.81 HTT (0.40)
SCHEMBL6655170 0.80

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009372-A1 PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS HUNTSMAN PETROCHEMICAL LLC (US) 2013-01-17 WO disclosed
US-8212078-B2 Making chain extenders with slower cure rates; reacting a ketone and/or aldehyde with a primary amine in the presence of an acidic ion exchange resin and hydrogenation agent; making diimine same way but excluding hydrogenation agent; e.g. N,N'-di-5-nonyl-isophoronediamine ALBEMARLE CORPORATION (US) 2012-07-03 US disclosed
US-8080626-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-12-20 US disclosed
US-8076518-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-12-13 US disclosed
US-7964695-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-06-21 US disclosed
US-20110137005-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2011-06-09 US disclosed
US-7767858-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2010-08-03 US disclosed
EP-2078048-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS Albemarle Corporation (US) 2009-07-15 EP disclosed
EP-2066715-A1 CHAIN EXTENDERS Albermarle Corporation (US) 2009-06-10 EP disclosed
WO-2008112636-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-09-18 WO disclosed
WO-2008039699-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-04-03 WO disclosed
WO-2008039571-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS ALBEMARLE CORPORATION (US) 2008-04-03 WO disclosed
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-02-07 US disclosed
US-20080004406-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-01-03 US disclosed
EP-1868987-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2007-12-26 EP disclosed
US-20070270566-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-11-22 US disclosed
US-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US disclosed
US-20070073030-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-03-29 US disclosed
WO-2006104528-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2006-10-05 WO disclosed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 US 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-20080004406-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 MEN1 556/4885KMT2A 545/4885DHPS 32/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 MEN1 1437/4885KMT2A 444/4885DHPS 270/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 MEN1 556/4885KMT2A 545/4885DHPS 32/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 MEN1 556/4885KMT2A 545/4885DHPS 32/4885

“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.