Sugi Predict

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SCHEMBL840604

SCHEMBL840604

CCCCCCc1cc(Cc2cc(CCCCCC)c(CCCCCC)c(N)c2CCCCCC)c(CCCCCC)c(N)c1CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.40
▸ TYR P14679 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TLR8 Q9NR97 2/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ SRC P12931 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ PTGS2 P35354 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28211073 0.84 TYR (0.41) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL14574898 0.83 HTR2A (0.32) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL3695485 0.82 TSHR (0.44) MAPTMEN1TSHRKMT2ATLR8
SCHEMBL10344837 0.82 TSHR (0.44) MAPTMEN1TSHRKMT2ATLR8
SCHEMBL10345139 0.82 TSHR (0.44) MAPTMEN1TSHRKMT2ATLR8
SCHEMBL10345217 0.82 TSHR (0.44) MAPTMEN1TSHRKMT2ATLR8
SCHEMBL10345132 0.82 TSHR (0.44) MAPTMEN1TSHRKMT2ATLR8
SCHEMBL28110926 0.81 TYR (0.40) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL841149 0.81 TLR8 (0.38) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL28211164 0.80 TYR (0.47) ALOX5TYRCYP3A4MAPTMEN1

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 22 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-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
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
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 (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 ALOX5 4489/4885TYR 11/4885CYP3A4 1669/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 ALOX5 2790/4885TYR 1763/4885CYP3A4 2671/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ALOX5 4489/4885TYR 11/4885CYP3A4 1669/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 ALOX5 3948/4885TYR 28/4885CYP3A4 1788/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALOX5 4489/4885TYR 11/4885CYP3A4 1669/4885

“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.