SCHEMBL2964693

SCHEMBL2964693

CCc1cc(CCc2cc(CC)c(NC(C)C3CCCC3)c(CC)c2)cc(CC)c1NC(C)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
PIM1 P11309 1/20 0.41
PLK1 P53350 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
AURKB Q96GD4 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
EPHX2 P34913 2/20 0.36
PDE5A O76074 1/20 0.34
GRK6 P43250 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2970042 0.73 ALDH1A1 (0.44) EPHX2TSHRSMN1; SMN2CYP3A4CYP2C19
SCHEMBL727390 0.69 ELANE (0.35) LRRK2
SCHEMBL2971747 0.68 CCR8 (0.35) DAPK3ROCK2CHEK2PIM1PLK1
SCHEMBL3125848 0.67 S1PR1 (0.32)
SCHEMBL1498770 0.65 NPC1 (0.33) RAB9ANPC1SMN1; SMN2
SCHEMBL11417126 0.64 ALOX12 (0.48) RAB9ANPC1SMN1; SMN2CYP3A4HPGD
SCHEMBL14518218 0.64 CYP2C9 (0.36) EPHX2CYP2C19
SCHEMBL2962284 0.64 IDH1 (0.33) DAPK3ROCK2CHEK2PIM1PLK1
SCHEMBL6261212 0.64 DAPK3 (0.48) DAPK3ROCK2CHEK2PIM1PLK1
SCHEMBL11416803 0.63 ALOX12 (0.50) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552990-B1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-04-19 EP claimed
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-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
US-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US 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 DAPK3 529/4885ROCK2 1947/4885CHEK2 842/4885
US-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 DAPK3 3660/4885ROCK2 3818/4885CHEK2 1034/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 DAPK3 529/4885ROCK2 1947/4885CHEK2 842/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC DAPK3 2846/4885ROCK2 4349/4885CHEK2 1663/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 DAPK3 775/4885ROCK2 1879/4885CHEK2 1345/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 DAPK3 529/4885ROCK2 1947/4885CHEK2 842/4885

“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.