SCHEMBL727390

SCHEMBL727390

CCc1cc(Cc2cc(CC)c(NC(C)C)c(CC)c2)cc(CC)c1NC(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.35
LRRK2 Q5S007 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
SCN5A Q14524 1/20 0.31
SHBG P04278 1/20 0.31
DHFR P00374 1/20 0.30
AOC1 P19801 1/20 0.30
AOC3 Q16853 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
SCHEMBL13998634 0.85 TAAR1 (0.37) ELANEDHFR
SCHEMBL727589 0.84 ALDH1A1 (0.44) LRRK2GAAALOX15
SCHEMBL2552345 0.78 ADRB2 (0.35)
SCHEMBL9861529 0.78 SHBG (0.34) GAASCN5ASHBGDHFR
SCHEMBL2970690 0.77 ALDH1A1 (0.39) ELANELRRK2ALOX15DHFR
SCHEMBL2968661 0.77 ELANE (0.33) ELANEALOX15ALOX12SCN5AAOC1
SCHEMBL728561 0.77 ALDH1A1 (0.34) ELANEALOX15ALOX12SCN5AAOC1
SCHEMBL26644683 0.76 SHBG (0.38) SHBG
SCHEMBL12284735 0.75 GAA (0.50) GAASCN5A
SCHEMBL5509475 0.74 SHBG (0.32) SHBGDHFR

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 38 patents — showing the first 20. 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
EP-2552990-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS Dow Global Technologies LLC (US) 2013-02-06 EP claimed
US-20130018147-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-17 US claimed
JP-4797063-B2 2011-10-19 JP claimed
WO-2011123241-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-10-06 WO claimed
US-20080315155-A1 Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-12-25 US claimed
US-20080262187-A1 Blends of Diamines Having Reduced Color ALBEMARLE CORPORATION (US) 2008-10-23 US claimed
EP-1966122-A1 DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP claimed
EP-1966265-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR Albermarle Corporation (US) 2008-09-10 EP 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-2007079365-A2 BLENDS OF DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 WO claimed
WO-2007079367-A1 DIAMINES HAVING REDUCED COLOR ALBEMARLE CORPORATION (US) 2007-07-12 WO 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
EP-2552990-B1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-04-19 EP disclosed
EP-2552990-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS Dow Global Technologies LLC (US) 2013-02-06 EP 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 ELANE 3408/4885LRRK2 713/4885GAA 4833/4885
US-20080262187-A1 Blends of Diamines Having Reduced Color DDT, DDC, AOC1 ELANE 3801/4885LRRK2 1976/4885GAA 2267/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC ELANE 3624/4885LRRK2 2731/4885GAA 2267/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ELANE 3408/4885LRRK2 713/4885GAA 4833/4885

“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.