SCHEMBL841582

SCHEMBL841582

CCCCCCCCc1cc(N)c(CCCCCCCC)cc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
TYR P14679 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TLR8 Q9NR97 4/20 0.44
LIPG Q9Y5X9 1/20 0.44
PTGS2 P35354 5/20 0.43
HTR2A P28223 2/20 0.43
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL15486053 1.00 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL11114074 0.98 TLR8 (0.46) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL5386049 0.94 ALOX5 (0.43) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL5379561 0.91 TLR8 (0.42) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL18428550 0.91 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL840888 0.91 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL29739851 0.91 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL14681822 0.91 ALOX5 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL833088 0.90 SKP2 (0.47) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL10615570 0.86 ALDH1A1 (0.55) ALOX5TYRMEN1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260319-A1 HYBRID NOVOLAC POLYUREA/POLYURETHANE PPG INDUSTRIES OHIO, INC. 2017-09-14 US disclosed
WO-2013009372-A1 PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS HUNTSMAN PETROCHEMICAL LLC (US) 2013-01-17 WO disclosed
CN-101516948-B Diamine chain extender compositions ALBEMARLE CORP 2012-08-15 CN disclosed
CN-101568566-B Formulations for reaction injection molding and for spray systems ALBEMARLE CORP 2012-07-11 CN 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
CN-101891629-A Diimine and secondary diamine ALBEMARLE CORP 2010-11-24 CN disclosed
WO-2008086437-A1 FORMULATIONS FOR REACTION INJECTION MOLDING AND FOR SPRAY SYSTEMS ALBEMARLE CORPORATION (US) 2008-07-17 WO disclosed
CN-101160283-A Diimines and secondary diamines ALBEMARLE CORP (US) 2008-04-09 CN 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
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 ALOX5 4489/4885TYR 11/4885MEN1 556/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 ALOX5 2790/4885TYR 1763/4885MEN1 1437/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ALOX5 4489/4885TYR 11/4885MEN1 556/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALOX5 4489/4885TYR 11/4885MEN1 556/4885

“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.