SCHEMBL2552345

SCHEMBL2552345

CCCCC(C)Nc1c(CC)cc(Cc2cc(CC)c(NC(C)CCCC)c(CC)c2)cc1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.35
IDO1 P14902 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
RPS6KB1 P23443 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
CACNA2D1 P54289 4/20 0.31
HCAR3 P49019 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC15A1 P46059 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
SCHEMBL727589 0.82 ALDH1A1 (0.44) HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL727390 0.78 ELANE (0.35)
SCHEMBL2970690 0.75 ALDH1A1 (0.39) HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2970042 0.72 ALDH1A1 (0.44) HCAR3ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2972448 0.70 HCAR3 (0.39) TAS1R3TAS1R1HCAR3ALDH1A1CYP1A2
SCHEMBL6884343 0.70 RPS6KB1 (0.40) ADRB2RPS6KB1ALDH1A1
SCHEMBL17467884 0.68 POLB (0.46) IDO1RPS6KB1TAS1R3TAS1R1ALDH1A1
Bromide SCHEMBL813666 0.68 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL814897 0.68 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12284735 0.67 GAA (0.50) ALDH1A1L3MBTL1

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 18 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
EP-2552990-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS Dow Global Technologies LLC (US) 2013-02-06 EP claimed
WO-2011123241-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-10-06 WO claimed
EP-2552990-B1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-04-19 EP disclosed
US-20130018147-A1 POLYURETHANE/POLYUREA SPRAY ELASTOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-17 US disclosed
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
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-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 (5 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 ADRB2 467/4885IDO1 13/4885ADH1B 2140/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 ADRB2 467/4885IDO1 13/4885ADH1B 2140/4885
US-20080315155-A1 Diamines Having Reduced Color DDT, DPYD, DDC ADRB2 1026/4885IDO1 479/4885ADH1B 42/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 ADRB2 371/4885IDO1 6/4885ADH1B 1756/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 ADRB2 467/4885IDO1 13/4885ADH1B 2140/4885

“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.