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Sugi Predict / Compounds / SCHEMBL840783

SCHEMBL840783

SCHEMBL840783

CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2N)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ MAPT P10636 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.39
▸ HTR1D P28221 4/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39

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
SCHEMBL9505783 0.87 ALDH1A1 (0.55) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL18392736 0.85 ALDH1A1 (0.53) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL18901113 0.83 ALDH1A1 (0.57) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL31273837 0.83 ALDH1A1 (0.57) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL984121 0.83 CYP1A2 (0.46) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL3117859 0.80 MEN1 (0.38) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL11623059 0.77 CYP1A2 (0.46) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL256203 0.77 ALDH1A1 (0.64) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL29377581 0.77 ALDH1A1 (0.64) ALDH1A1MAPTGAAMEN1PKM
SCHEMBL2582081 0.76 CYP2C19 (0.47) ALDH1A1MAPTGAAMEN1PKM

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 23 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 ALDH1A1 412/4885MAPT 1803/4885GAA 4833/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 ALDH1A1 146/4885MAPT 1760/4885GAA 3496/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ALDH1A1 412/4885MAPT 1803/4885GAA 4833/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 ALDH1A1 252/4885MAPT 2583/4885GAA 4865/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALDH1A1 412/4885MAPT 1803/4885GAA 4833/4885

“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.