SCHEMBL728561

SCHEMBL728561

CCc1cc(CC)c(NC(C)C)c(C)c1NC(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
ELANE P08246 6/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
SCN5A Q14524 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
AOC1 P19801 2/20 0.31
AOC3 Q16853 2/20 0.31

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
SCHEMBL725861 0.83 ALDH1A1 (0.49) ALDH1A1ELANECYP1A2CYP3A4CYP2C9
SCHEMBL2968661 0.83 ELANE (0.33) ELANETRPM8ALOX15ALOX12SCN5A
SCHEMBL727390 0.77 ELANE (0.35) ELANEALOX15ALOX12SCN5AAOC1
SCHEMBL726976 0.76 LMNA (0.30) ELANE
SCHEMBL9861627 0.75 KCNH2 (0.33) ALDH1A1SCN5A
SCHEMBL2971453 0.74 EED (0.33) ALDH1A1AOC1AOC3
SCHEMBL10037111 0.71 ELANE (0.45) ALDH1A1ELANECYP2C19ALOX15SCN5A
SCHEMBL2970801 0.71 TSHR (0.35) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11288221 0.69 PTGS2 (0.46) ALDH1A1ELANEALOX15ALOX12KDM4E
SCHEMBL4493246 0.67 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALOX15KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4797063-B2 2011-10-19 JP claimed
US-20080315155-A1 Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-12-25 US claimed
JP-2008534585-A 2008-08-28 JP claimed
US-20080004406-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-01-03 US claimed
EP-1868987-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2007-12-26 EP claimed
WO-2006104528-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2006-10-05 WO claimed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 US 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
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-1966265-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP 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
US-3943158-A POLYURETHANE MONOMERS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 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 ALDH1A1 412/4885ELANE 3408/4885CYP1A2 258/4885
US-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 ALDH1A1 181/4885ELANE 3801/4885CYP1A2 524/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC ALDH1A1 213/4885ELANE 3624/4885CYP1A2 821/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ALDH1A1 412/4885ELANE 3408/4885CYP1A2 258/4885

“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.