SCHEMBL841149

SCHEMBL841149

CCCCCc1cc(CCCCC)c(CCCCC)c(Cc2c(N)c(CCCCC)cc(CCCCC)c2CCCCC)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.38
CYP3A4 P08684 3/20 0.36
TYR P14679 2/20 0.36
ALOX5 P09917 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
HTR2A P28223 1/20 0.34
SRC P12931 1/20 0.34
CYP19A1 P11511 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL15324096 0.82 CYP19A1 (0.44) TLR8CYP3A4TYRALOX5MAPT
SCHEMBL840604 0.81 ALOX5 (0.40) TLR8CYP3A4TYRALOX5MAPT
SCHEMBL28211164 0.80 TYR (0.47) TLR8CYP3A4TYRALOX5MAPT
SCHEMBL250347 0.80 ALOX5 (0.47) CYP3A4TYRALOX5MAPTMEN1
SCHEMBL29037315 0.80 ALOX5 (0.47) CYP3A4TYRALOX5MAPTMEN1
SCHEMBL29659437 0.78 ALOX5 (0.46) CYP3A4TYRALOX5MAPTMEN1
SCHEMBL29414438 0.78 ALOX5 (0.46) CYP3A4TYRALOX5MAPTMEN1
SCHEMBL30014752 0.78 ALOX5 (0.40) TLR8CYP3A4TYRALOX5MAPT
SCHEMBL28211588 0.78 ALOX5 (0.40) TLR8CYP3A4TYRALOX5MAPT
SCHEMBL11818168 0.77 TLR8 (0.40) TLR8CYP3A4TYRALOX5MAPT

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 19 patents. 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-8143365-B2 Formulations for reaction injection molding and for spray systems ALBEMARLE CORPORATION (US) 2012-03-27 US disclosed
US-8080626-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-12-20 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
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed
US-7767858-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2010-08-03 US disclosed
US-20100160592-A1 Formulations For Reaction Injection Molding And For Spray Systems ALBEMARLE CORPORATION (US) 2010-06-24 US disclosed
EP-2143707-A2 Secondary diamine Albermarle Corporation (US) 2010-01-13 EP disclosed
EP-2102265-A1 FORMULATIONS FOR REACTION INJECTION MOLDING AND FOR SPRAY SYSTEMS Albermarle Corporation (US) 2009-09-23 EP disclosed
WO-2008112636-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-09-18 WO disclosed
US-20080194788-A1 Diimines and Secondary Diamines ALBEMARLE CORPORATION (US) 2008-08-14 US disclosed
WO-2008086437-A1 FORMULATIONS FOR REACTION INJECTION MOLDING AND FOR SPRAY SYSTEMS ALBEMARLE CORPORATION (US) 2008-07-17 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
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-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 (5 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 TLR8 437/4885CYP3A4 1669/4885TYR 11/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 TLR8 1170/4885CYP3A4 2671/4885TYR 1763/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 TLR8 437/4885CYP3A4 1669/4885TYR 11/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 TLR8 451/4885CYP3A4 1788/4885TYR 28/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 TLR8 437/4885CYP3A4 1669/4885TYR 11/4885

“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.