SCHEMBL2970801

SCHEMBL2970801

CCC(C)c1cc(C(C)CC)c(NC(C)C)c(C)c1NC(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
RORC P51449 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2962205 0.86 ALDH1A1 (0.44) TSHRRORCALDH1A1CYP3A4L3MBTL1
SCHEMBL2962284 0.79 IDH1 (0.33) TSHR
SCHEMBL11683236 0.72 TSHR (0.50) TSHRRORCALDH1A1CYP3A4L3MBTL1
SCHEMBL728561 0.71 ALDH1A1 (0.34) ALDH1A1CYP3A4L3MBTL1CYP1A2CYP2C9
SCHEMBL560581 0.68 TSHR (0.39) TSHRRORCALDH1A1ALOX15SMN1; SMN2
SCHEMBL11682136 0.64 TSHR (0.43) TSHRRORCALDH1A1ALOX15HSD17B10
SCHEMBL26497849 0.64 TSHR (0.35) TSHRRORCALDH1A1CYP3A4ALOX15
SCHEMBL116802 0.63 AR (0.44) TSHRRORCALDH1A1L3MBTL1CYP1A2
SCHEMBL18745640 0.63 TSHR (0.58) TSHRRORCCYP3A4L3MBTL1CYP1A2
SCHEMBL21587683 0.62 HCAR3 (0.35) TSHRALDH1A1CYP1A2TRPM8

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 16 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-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
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-2007079367-A1 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 TSHR 3124/4885RORC 3093/4885ALDH1A1 412/4885
US-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 TSHR 4476/4885RORC 2620/4885ALDH1A1 181/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 TSHR 3124/4885RORC 3093/4885ALDH1A1 412/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC TSHR 4561/4885RORC 3504/4885ALDH1A1 213/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 TSHR 2793/4885RORC 2631/4885ALDH1A1 252/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 TSHR 3124/4885RORC 3093/4885ALDH1A1 412/4885

“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.