Sugi Predict

Sugi Predict / Compounds / SCHEMBL841964

SCHEMBL841964

SCHEMBL841964

CCCc1cccc(Cc2cccc(CCC)c2N)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ HSPA5 P11021 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ IAPP P10997 2/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CTSG P08311 1/20 0.33
▸ BID P55957 3/20 0.33
▸ MCL1 Q07820 3/20 0.33
▸ BCL2L1 Q07817 2/20 0.33
▸ BAK1 Q16611 2/20 0.33
▸ KAT8 Q9H7Z6 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ KAT2A Q92830 1/20 0.33
▸ KAT2B Q92831 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
SCHEMBL2155003 0.93 GABRA1 (0.39) GABRA1GABRB2DAOIAPPHTR1A
SCHEMBL3966974 0.86 GABRA1 (0.44) GABRA1GABRB2DAOIAPPELANE
SCHEMBL3966567 0.84 TLR8 (0.43) IAPPTLR8BIDMCL1BCL2L1
SCHEMBL829785 0.82 CD44 (0.44) GABRA1GABRB2DAOIAPPHTR1A
SCHEMBL29484088 0.82 CD44 (0.44) GABRA1GABRB2DAOIAPPHTR1A
SCHEMBL350947 0.81 GABRA1 (0.54) GABRA1GABRB2TLR8HTR1AELANE
SCHEMBL10438966 0.80 IAPP (0.44) GABRA1GABRB2HSPA5IAPPHTR1A
SCHEMBL3962753 0.80 CD44 (0.48) GABRA1GABRB2DAOGRM5
SCHEMBL3676124 0.79 TLR8 (0.46) IAPPTLR8BIDMCL1BCL2L1
SCHEMBL15751157 0.78 IAPP (0.34) GABRA1GABRB2DAOIAPPHTR1A

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 GABRA1 2453/4885GABRB2 2408/4885HSPA5 3842/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 GABRA1 1439/4885GABRB2 981/4885HSPA5 1030/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 GABRA1 2453/4885GABRB2 2408/4885HSPA5 3842/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 GABRA1 1204/4885GABRB2 1156/4885HSPA5 3364/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 GABRA1 2453/4885GABRB2 2408/4885HSPA5 3842/4885

“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.