SCHEMBL12036660

SCHEMBL12036660

O=C(O)CC(=O)NCCNC(=O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
SRR Q9GZT4 1/20 0.50
ECE1 P42892 1/20 0.50
EGLN1 Q9GZT9 3/20 0.41
LMNA P02545 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
PHF8 Q9UPP1 4/20 0.41
KDM2A Q9Y2K7 4/20 0.41
KDM4E B2RXH2 3/20 0.41
KDM5C P41229 3/20 0.41
KDM6B O15054 1/20 0.41
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
KDM7A Q6ZMT4 1/20 0.35

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
SCHEMBL10033437 0.87 PHF8 (0.46) LDHASRRECE1EGLN1LMNA
SCHEMBL16687527 0.87 ECE1 (0.41) LDHASRRECE1EGLN1LMNA
SCHEMBL10033458 0.87 KDM4E (0.50) LDHASRRECE1LMNAKDM4E
SCHEMBL4579273 0.85 ECE1 (0.44) LDHASRRECE1EGLN1PHF8
SCHEMBL2554103 0.85 ECE1 (0.44) LDHASRRECE1ALDH1A1MEN1
SCHEMBL27858651 0.85 ECE1 (0.70) LDHASRRECE1EGLN1LMNA
SCHEMBL2554762 0.83 ECE1 (0.43) LDHASRRECE1LMNAPHF8
SCHEMBL15601857 0.83 MCL1 (0.52) LDHASRRECE1LMNAMEN1
SCHEMBL8413493 0.83 HDAC3 (0.52) LDHASRRECE1FOLH1ALDH1A1
SCHEMBL11921768 0.80 LDHA (0.50) LDHASRRECE1EGLN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110316926-A1 Organic Phase Change Carriers Containing Nanoparticles, Phase Change Inks Including Same and Methods for Making Same XEROX CORPORATION (US) 2011-12-29 US disclosed
US-20100116424-A1 ORGANIC PHASE CHANGE CARRIERS CONTAINING NANOPARTICLES, PHASE CHANGE INKS INCLUDING SAME AND METHODS FOR MAKING SAME XEROX CORPORATION (US) 2010-05-13 US disclosed
US-7714040-B2 Phase change inks containing curable amide gellant compounds XEROX CORPORATION (US) 2010-05-11 US disclosed
US-7699922-B2 Organic phase change carriers containing nanoparticles, phase change inks including same and methods for making same XEROX CORPORATION (US) 2010-04-20 US disclosed
US-7625956-B2 Phase change inks containing photoinitiator with phase change properties and gellant affinity XEROX CORPORATION (US) 2009-12-01 US disclosed
US-20070283846-A1 Organic Phase Change Carriers Containing Nanoparticles, Phase Change Inks Including Same and Methods for Making Same XEROX CORPORATION (US) 2007-12-13 US disclosed
US-7279587-B2 Photoinitiator with phase change properties and gellant affinity XEROX CORPORATION (US) 2007-10-09 US disclosed
US-7276614-B2 Curable amide gellant compounds XEROX CORPORATION (US) 2007-10-02 US disclosed
US-7259275-B2 Method for preparing curable amide gellant compounds XEROX CORPORATION (US) 2007-08-21 US disclosed
US-20070123606-A1 Phase change inks containing curable amide gellant compounds XEROX CORPORATION 2007-05-31 US disclosed
US-20070123724-A1 Method for preparing curable amide gellant compounds XEROX CORPORATION 2007-05-31 US disclosed
US-20070123723-A1 Photoinitiator with phase change properties and gellant affinity XEROX CORPORATION 2007-05-31 US disclosed
US-20070123722-A1 Ester-terminated oligoamides and polyamides having terminal ethylenic double bonds; gelling agents for phase change ink jet inks with improved ultraviolet curability and solubility XEROX CORPORATION 2007-05-31 US disclosed
US-20070120910-A1 Phase change inks containing photoinitiator with phase change properties and gellant affinity XEROX CORPORATION 2007-05-31 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 (3 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-20070123724-A1 Method for preparing curable amide gellant compounds ODC1, INO80C, AOC1 LDHA 3100/4885SRR 2499/4885ECE1 1425/4885
US-20070123723-A1 Photoinitiator with phase change properties and gellant affinity NR2E3, NR4A1, NR4A3 LDHA 4288/4885SRR 641/4885ECE1 2542/4885
US-20070123722-A1 Ester-terminated oligoamides and polyamides having terminal ethylenic double bonds; gelling agents for phase change ink jet inks with improved ultraviolet curability and solubility CCNA2, ELL, CCNA1 LDHA 4749/4885SRR 2895/4885ECE1 355/4885

“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.