SCHEMBL2956305

SCHEMBL2956305

CCC(C)Nc1c(C)cc(Cc2cc(C)c(NC(C)CC)c(C)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 2/20 0.45
HSP90AA1 P07900 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
SHBG P04278 1/20 0.34
HCAR3 P49019 3/20 0.34

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
SCHEMBL2962049 0.91 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL26644683 0.80 SHBG (0.38) TDP1HMGB1CXCL12SHBGESR1
SCHEMBL727589 0.80 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL1251762 0.77 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL13091238 0.77 ALDH1A1 (0.52) L3MBTL1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL2970690 0.73 ALDH1A1 (0.39) L3MBTL1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL725985 0.72 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL725861 0.69 ALDH1A1 (0.49) L3MBTL1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL16105836 0.69 SHBG (0.46) ALDH1A1CYP3A4CYP1A2CYP2C19ALOX15
SCHEMBL48404 0.68 ALDH1A1 (0.78) L3MBTL1ALDH1A1CYP3A4TSHRTP53

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 9 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
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-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 (4 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 L3MBTL1 2969/4885ALDH1A1 412/4885CYP3A4 1669/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 L3MBTL1 2969/4885ALDH1A1 412/4885CYP3A4 1669/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 L3MBTL1 3173/4885ALDH1A1 252/4885CYP3A4 1788/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 L3MBTL1 2969/4885ALDH1A1 412/4885CYP3A4 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.