SCHEMBL840158

SCHEMBL840158

CCc1c(N)cc(C(C)CC)c(N)c1CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.34
AR P10275 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL117761 0.77 TSHR (0.38) USP2ALDH1A1GAAPKMHPGD
SCHEMBL27744538 0.73 USP2 (0.37) USP2ALDH1A1GAAPKMHPGD
SCHEMBL11415140 0.71 TSHR (0.39) USP2ALDH1A1GAAPKMHPGD
SCHEMBL560581 0.71 TSHR (0.39) USP2ALDH1A1GAAPKMHPGD
SCHEMBL10937899 0.71 ALDH1A1 (0.50) USP2ALDH1A1GAAPKMHPGD
SCHEMBL116802 0.70 AR (0.44) USP2ALDH1A1GAAPKMHPGD
SCHEMBL342170 0.69 TSHR (0.38) USP2ALDH1A1GAAPKMHPGD
SCHEMBL5158728 0.69 ELANE (0.36) USP2ALDH1A1GAAPKMHPGD
SCHEMBL8153959 0.69 HTT (0.42) ALDH1A1AR
SCHEMBL9135903 0.69 GABRA1 (0.32) GAA

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
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-2008112636-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-09-18 WO 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
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
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
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 USP2 3561/4885ALDH1A1 412/4885GAA 4833/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 USP2 393/4885ALDH1A1 146/4885GAA 3496/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 USP2 3561/4885ALDH1A1 412/4885GAA 4833/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 USP2 2637/4885ALDH1A1 252/4885GAA 4865/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 USP2 3561/4885ALDH1A1 412/4885GAA 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.