SCHEMBL2963481

SCHEMBL2963481

CCC(C)Nc1cccc(Cc2cccc(NC(C)CC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 2/20 0.55
TSHR P16473 2/20 0.55
HIF1A Q16665 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
HSP90AA1 P07900 1/20 0.55
THRB P10828 1/20 0.55
CASP1 P29466 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2963582 0.86 ALDH1A1 (0.67) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL23134425 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL21780495 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL7025738 0.79 CYP3A4 (0.57) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL19832126 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL22139443 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL11211227 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL13302606 0.78 TDP1 (0.57) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL8085472 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR
SCHEMBL13934710 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP3A4ALOX15TSHR

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 14 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
EP-1966122-A1 DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP 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
WO-2007079367-A1 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 (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 ALDH1A1 412/4885L3MBTL1 2969/4885CYP3A4 1669/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ALDH1A1 412/4885L3MBTL1 2969/4885CYP3A4 1669/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC ALDH1A1 213/4885L3MBTL1 3784/4885CYP3A4 2145/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 ALDH1A1 252/4885L3MBTL1 3173/4885CYP3A4 1788/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALDH1A1 412/4885L3MBTL1 2969/4885CYP3A4 1669/4885

“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.