SCHEMBL840298

SCHEMBL840298

CCCCCCc1c(N)cc(N)c(CCCCCC)c1CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
ALOX5 P09917 5/20 0.42
PTGS2 P35354 3/20 0.42
HTR2A P28223 1/20 0.42
CYP19A1 P11511 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
SRC P12931 1/20 0.41
CCR5 P51681 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TLR8 Q9NR97 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
SCHEMBL28645967 0.89 SKP2 (0.41) SKP2ALOX5PTGS2HTR2ACYP19A1
SCHEMBL11818168 0.85 TLR8 (0.40) SKP2ALOX5PTGS2HTR2ACYP19A1
SCHEMBL5567215 0.84 SKP2 (0.48) SKP2PTGS2HTR2ASRCCYP3A4
SCHEMBL28459291 0.84 SKP2 (0.48) SKP2PTGS2HTR2ASRCCYP3A4
SCHEMBL28248002 0.84 SKP2 (0.48) SKP2PTGS2HTR2ASRCCYP3A4
SCHEMBL1498860 0.84 SKP2 (0.48) SKP2PTGS2HTR2ASRCCYP3A4
SCHEMBL9516123 0.84 SKP2 (0.48) SKP2PTGS2HTR2ASRCCYP3A4
SCHEMBL31521779 0.84 SKP2 (0.48) SKP2PTGS2HTR2ASRCCYP3A4
SCHEMBL294503 0.84 SKP2 (0.48) SKP2PTGS2HTR2ASRCCYP3A4
SCHEMBL175278 0.84 CYP19A1 (0.53) SKP2ALOX5PTGS2CYP19A1CYP3A4

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 25 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
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
WO-2008086437-A1 FORMULATIONS FOR REACTION INJECTION MOLDING AND FOR SPRAY SYSTEMS ALBEMARLE CORPORATION (US) 2008-07-17 WO 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 SKP2 899/4885ALOX5 4489/4885PTGS2 2211/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 SKP2 583/4885ALOX5 2790/4885PTGS2 3181/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 SKP2 899/4885ALOX5 4489/4885PTGS2 2211/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 SKP2 899/4885ALOX5 4489/4885PTGS2 2211/4885

“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.