SCHEMBL2958217

SCHEMBL2958217

CC(Nc1ccc(Cc2ccc(NC(C)C(C)(C)C)cc2)cc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TDP1 Q9NUW8 5/20 0.40
TSHR P16473 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
CYP3A4 P08684 3/20 0.40
THRB P10828 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CASP1 P29466 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 5/20 0.39
HTT P42858 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PLK1 P53350 3/20 0.39
CHEK1 O14757 2/20 0.37
CDC7 O00311 1/20 0.37

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
SCHEMBL2971862 0.78 TDP1 (0.54) ALDH1A1SMN1; SMN2TDP1TSHRL3MBTL1
SCHEMBL21799861 0.77 PLK1 (0.40) ALDH1A1SMN1; SMN2TDP1TSHRL3MBTL1
SCHEMBL12957338 0.76 PLK1 (0.59) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL12192566 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1TSHRL3MBTL1
SCHEMBL16623692 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1TSHRL3MBTL1
SCHEMBL31092472 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1L3MBTL1THRB
SCHEMBL8176841 0.73 CA1 (0.49) ALDH1A1LMNAHTTPLK1CHEK1
SCHEMBL48404 0.72 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2TDP1TSHRL3MBTL1
SCHEMBL27314450 0.72 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TDP1TSHRL3MBTL1
SCHEMBL15342891 0.72 TDP1 (0.48) ALDH1A1SMN1; SMN2TDP1TSHRL3MBTL1

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 12 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
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
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
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 412/4885SMN1; SMN2 3151/4885TDP1 1225/4885
US-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 ALDH1A1 181/4885SMN1; SMN2 1405/4885TDP1 483/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ALDH1A1 412/4885SMN1; SMN2 3151/4885TDP1 1225/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC ALDH1A1 213/4885SMN1; SMN2 1733/4885TDP1 486/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 ALDH1A1 252/4885SMN1; SMN2 3047/4885TDP1 1248/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALDH1A1 412/4885SMN1; SMN2 3151/4885TDP1 1225/4885

“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.