SCHEMBL2958148

SCHEMBL2958148

CCc1c(NC(C)CC)ccc(NC(C)CC)c1CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CASP1 P29466 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HCAR3 P49019 3/20 0.41
LATS1 O95835 5/20 0.36
LATS2 Q9NRM7 4/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIPK2 Q9H2X6 2/20 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
SCHEMBL1133304 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL48533 0.76 TSHR (0.58) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL29385988 0.76 TSHR (0.58) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL4604660 0.74 ALDH1A1 (0.61) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL29467778 0.71 ALDH1A1 (0.52) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL9973798 0.71 ALDH1A1 (0.47) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL14567687 0.71 ALDH1A1 (0.47) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL49805 0.70 ALDH1A1 (1.00) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL3262475 0.70 L3MBTL1 (0.44) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1
SCHEMBL5074351 0.70 CYP3A4 (0.61) ALDH1A1CYP3A4L3MBTL1TP53HSP90AA1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20080315155-A1 Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-12-25 US disclosed
US-20080262187-A1 Blends of Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-10-23 US disclosed
EP-1966265-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP disclosed
US-20080194788-A1 Diimines and Secondary Diamines ALBEMARLE CORPORATION (US) 2008-08-14 US 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-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US disclosed
WO-2007079365-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 WO 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 (6 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 412/4885CYP3A4 1669/4885L3MBTL1 2969/4885
US-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 ALDH1A1 181/4885CYP3A4 1488/4885L3MBTL1 2362/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ALDH1A1 412/4885CYP3A4 1669/4885L3MBTL1 2969/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC ALDH1A1 213/4885CYP3A4 2145/4885L3MBTL1 3784/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 ALDH1A1 252/4885CYP3A4 1788/4885L3MBTL1 3173/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALDH1A1 412/4885CYP3A4 1669/4885L3MBTL1 2969/4885

“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.