SCHEMBL10029314

SCHEMBL10029314

COC(=O)CC(=O)NCCNC(=O)CC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL838367 0.96 MAPT (0.44) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL12091364 0.94 MAPT (0.43) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL402847 0.93 MAPT (0.41) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL838083 0.92 MAPT (0.49) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL10030725 0.92 USP2 (0.41) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4747310 0.92 MAPT (0.40) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4758832 0.92 USP2 (0.41) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL14369609 0.92 SMN1; SMN2 (0.46) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL1707907 0.92 USP2 (0.50) MAPTPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL401764 0.92 RECQL (0.47) MAPTPOLBSMN1; SMN2KMT2AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449095-B2 Radiation curable solid ink compositions suitable for transfuse printing applications XEROX CORPORATION (US) 2013-05-28 US disclosed
US-20120013690-A1 RADIATION CURABLE SOLID INK COMPOSITIONS SUITABLE FOR TRANSFUSE PRINTING APPLICATIONS XEROX CORPORATION (US) 2012-01-19 US disclosed
US-7887176-B2 High image quality in inkjet printing onto flexible packaging substrates of polyester, polypropylene, and aluminum foil, can be significantly improved by the use of radiation curable gel based phase change inks; not requiring pinning of the ink during color printing or nitrogen inerting during curing XEROX CORPORATION (US) 2011-02-15 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-7279587-B2 Photoinitiator with phase change properties and gellant affinity XEROX CORPORATION (US) 2007-10-09 US disclosed
US-20070123723-A1 Photoinitiator with phase change properties and gellant affinity 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 (1 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-20070123723-A1 Photoinitiator with phase change properties and gellant affinity NR2E3, NR4A1, NR4A3 MAPT 2052/4885RAB9A 3663/4885POLB 1052/4885

“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.