SCHEMBL840920

SCHEMBL840920

CCCCc1ccc(CCCC)c(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.48
TLR8 Q9NR97 2/20 0.44
CTRC Q99895 1/20 0.44
SKP2 Q13309 1/20 0.42
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 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
SCHEMBL4423913 0.92 TYR (0.48) TYRTLR8CYP3A4MAPTMEN1
SCHEMBL1232399 0.89 SKP2 (0.44) TYRTLR8CTRCSKP2CYP3A4
SCHEMBL833911 0.88 TYR (0.44) TYRTLR8CTRCSKP2CYP3A4
SCHEMBL24677644 0.87 TYR (0.40) TYRTLR8CTRCSKP2CYP3A4
SCHEMBL27521449 0.87 TYR (0.53) TYRCYP3A4MAPTMEN1TP53
SCHEMBL3676124 0.85 TLR8 (0.46) TYRTLR8CYP3A4ALOX5LIPG
SCHEMBL9027471 0.84 TYR (0.43) TYRTLR8SKP2CYP3A4MAPT
SCHEMBL28193225 0.83 TYR (0.44) TYRTLR8SKP2CYP3A4MAPT
SCHEMBL842068 0.83 TYR (0.40) TYRTLR8CTRCSKP2CYP3A4
SCHEMBL10342533 0.83 SKP2 (0.47) TYRTLR8CTRCSKP2CYP3A4

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 31 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
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
WO-2008039715-A1 CHAIN EXTENDERS 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 TYR 11/4885TLR8 437/4885CTRC 1493/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 TYR 1763/4885TLR8 1170/4885CTRC 1045/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 TYR 11/4885TLR8 437/4885CTRC 1493/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 TYR 11/4885TLR8 437/4885CTRC 1493/4885

“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.