SCHEMBL1933123

SCHEMBL1933123

[CH]CCCCCCCCC=C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ABCC4 O15439 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 3/20 0.41
LPAR3 Q9UBY5 2/20 0.38
LMNA P02545 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8823984 1.00
SCHEMBL7736881 1.00 TSHR (0.52) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL5702283 1.00 TSHR (0.52) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL6554579 1.00 TSHR (0.52) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL10672762 0.87
SCHEMBL2846645 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL18187344 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL477953 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL18186951 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL18187342 0.83 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1

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 21 patents — showing the first 20. 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-8080626-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-12-20 US disclosed
US-8076518-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-12-13 US disclosed
US-7964695-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-06-21 US disclosed
US-20110137005-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2011-06-09 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
EP-2078048-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS Albemarle Corporation (US) 2009-07-15 EP disclosed
EP-2066715-A1 CHAIN EXTENDERS Albermarle Corporation (US) 2009-06-10 EP disclosed
WO-2008112636-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-09-18 WO disclosed
WO-2008039571-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS ALBEMARLE CORPORATION (US) 2008-04-03 WO disclosed
WO-2008039699-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-04-03 WO 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-20070270566-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-11-22 US disclosed
US-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US disclosed
US-20070073030-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-03-29 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 (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 TSHR 3124/4885ABCC4 1474/4885MAPT 1803/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 TSHR 4124/4885ABCC4 1869/4885MAPT 1760/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 TSHR 3124/4885ABCC4 1474/4885MAPT 1803/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 TSHR 3124/4885ABCC4 1474/4885MAPT 1803/4885

“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.