SCHEMBL840773

SCHEMBL840773

CC(C)(C)c1cc(N)cc(C(C)(C)C)c1Cc1c(C(C)(C)C)cc(N)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HIF1A Q16665 4/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATP2A2 P16615 1/20 0.35
▸ ATP2A3 Q93084 1/20 0.35
▸ TSHR P16473 3/20 0.33
▸ HSPA5 P11021 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ATM Q13315 2/20 0.32

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
SCHEMBL8106279 0.76 SKP2 (0.39) SMN1; SMN2CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL2154448 0.76 ALDH1A1 (0.39) SMN1; SMN2HIF1ACYP2C9CYP2C19TP53
SCHEMBL2154134 0.76 POLB (0.40) SMN1; SMN2HIF1ACYP2C9CYP2C19TP53
SCHEMBL21553372 0.75 TSHR (0.48) ALDH1A1ALOX15MAPTKDM4ETSHR
SCHEMBL68860 0.75 CYP2C9 (0.48) SMN1; SMN2HIF1ACYP2C9CYP2C19TP53
SCHEMBL622820 0.73 KDM4E (0.42) SMN1; SMN2HIF1ACYP2C9CYP2C19TP53
SCHEMBL13278074 0.72 POLB (0.37) SMN1; SMN2ALDH1A1CYP1A2ALOX15MAPT
SCHEMBL2802734 0.72 CA2 (0.64) SMN1; SMN2HIF1ACYP2C9CYP2C19TP53
SCHEMBL27780818 0.72 ALDH1A1 (0.36) SMN1; SMN2CYP2C9ALDH1A1CYP1A2ALOX15
SCHEMBL29113874 0.70 ALDH1A1 (0.35) SMN1; SMN2TP53ALDH1A1CYP1A2ALOX15

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
EP-2143707-A2 Secondary diamine Albermarle Corporation (US) 2010-01-13 — — EP disclosed
EP-2102265-A1 FORMULATIONS FOR REACTION INJECTION MOLDING AND FOR SPRAY SYSTEMS Albermarle Corporation (US) 2009-09-23 — — 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 SMN1; SMN2 3151/4885HIF1A 277/4885CYP2C9 590/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 SMN1; SMN2 917/4885HIF1A 1645/4885CYP2C9 2337/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 SMN1; SMN2 3151/4885HIF1A 277/4885CYP2C9 590/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 SMN1; SMN2 3047/4885HIF1A 406/4885CYP2C9 733/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 SMN1; SMN2 3151/4885HIF1A 277/4885CYP2C9 590/4885

“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.

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