SCHEMBL2962284

SCHEMBL2962284

CCC(C)c1cc(C(C)CC)c(NC(C)C2CC2)c(C)c1NC(C)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
PIM1 P11309 1/20 0.33
PLK1 P53350 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
AURKB Q96GD4 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
PDE5A O76074 1/20 0.31
LRRK2 Q5S007 2/20 0.30
TSHR P16473 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
SCHEMBL2970801 0.79 TSHR (0.35) TSHR
SCHEMBL2962205 0.78 ALDH1A1 (0.44) TSHR
SCHEMBL11683236 0.65 TSHR (0.50) TSHR
SCHEMBL2964693 0.64 DAPK3 (0.41) DAPK3ROCK2CHEK2PIM1PLK1
SCHEMBL27005158 0.63 TSHR (0.43) TSHR
SCHEMBL560581 0.61 TSHR (0.39) TSHR
SCHEMBL6261212 0.61 DAPK3 (0.48) IDH1DAPK3ROCK2CHEK2PIM1
SCHEMBL1931582 0.59 RORC (0.36) TSHR
SCHEMBL19235998 0.59 CA1 (0.42) TSHR
SCHEMBL15507554 0.58 NPC1 (0.43) IDH1

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
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 (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 IDH1 29/4885DAPK3 529/4885ROCK2 1947/4885
US-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 IDH1 133/4885DAPK3 3660/4885ROCK2 3818/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 IDH1 29/4885DAPK3 529/4885ROCK2 1947/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC IDH1 95/4885DAPK3 2846/4885ROCK2 4349/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 IDH1 16/4885DAPK3 775/4885ROCK2 1879/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 IDH1 29/4885DAPK3 529/4885ROCK2 1947/4885

“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.