SCHEMBL213987

SCHEMBL213987

CC(=O)O/N=C/c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR4A1 P22736 1/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOA P21397 1/20 0.46
POLB P06746 1/20 0.45
OPRK1 P41145 1/20 0.44
TOP2A P11388 1/20 0.44

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
SCHEMBL213988 1.00 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL841078 0.81 PLA2G7 (0.61) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL213145 0.77 NR4A1 (0.55) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL213146 0.77 NR4A1 (0.55) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL213360 0.77 CTH (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL213361 0.77 CTH (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6166204 0.75 NR4A1 (0.53) KDM4EALDH1A1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL6166208 0.75 NR4A1 (0.53) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL215449 0.74 NR4A1 (0.52) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL215448 0.74 NR4A1 (0.52) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US claimed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US claimed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US claimed
US-8541509-B2 Polymers functionalized with protected oxime compounds BRIDGESTONE CORPORATION (JP) 2013-09-24 US disclosed
EP-2054387-B1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE PHOENIX CHEMICALS LTD (GB) 2012-11-21 EP disclosed
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US disclosed
US-8143406-B2 Process for the manufacture of HI-6 dimethanesulfonate PHOENIX CHEMICALS LIMITED (GB) 2012-03-27 US disclosed
US-8143406-B2 Process for the manufacture of HI-6 dimethanesulfonate PHOENIX CHEMICALS LIMITED (GB) 2012-03-27 US disclosed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US disclosed
US-20100016604-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE PHOENIX CHEMICALS LIMITED (GB) 2010-01-21 US disclosed
US-20100016604-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE PHOENIX CHEMICALS LIMITED (GB) 2010-01-21 US disclosed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 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-20100016604-A1 PROCESS FOR THE MANUFACTURE OF HI-6 DIMETHANESULFONATE DHX36, HAAO, INTS6 KDM4E 808/4885ALDH1A1 727/4885HPGD 433/4885

“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.