SCHEMBL969081

SCHEMBL969081

CCCCCCOc1cc(C(=O)NN)cc(OCCCCCC)c1OCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.53
SLC6A5 Q9Y345 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTPN11 Q06124 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL28949956 1.00 SMPD1 (0.53) SMPD1SLC6A5MEN1KMT2APTPN11
SCHEMBL6111633 1.00 SMPD1 (0.53) SMPD1SLC6A5MEN1KMT2APTPN11
SCHEMBL969363 1.00 SMPD1 (0.53) SMPD1SLC6A5MEN1KMT2APTPN11
SCHEMBL28599541 0.98 SMPD1 (0.51) SMPD1SLC6A5MEN1KMT2A
SCHEMBL10822455 0.91 SLC6A5 (0.57) SMPD1SLC6A5MEN1KMT2AMAPT
SCHEMBL10822447 0.91 SLC6A5 (0.57) SMPD1SLC6A5MEN1KMT2AMAPT
SCHEMBL30937962 0.88 SMPD1 (0.53) SMPD1SLC6A5MEN1KMT2ALMNA
SCHEMBL30937964 0.88 SMPD1 (0.53) SMPD1SLC6A5MEN1KMT2ALMNA
SCHEMBL12355826 0.86 PTPN11 (0.52) SMPD1PTPN11
SCHEMBL1889108 0.85 SMPD1 (0.51) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
EP-2234991-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY Georgia Tech Research Corporation (US) 2010-10-06 EP disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 WO disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 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 (2 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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 SMPD1 4884/4885SLC6A5 195/4885MEN1 2411/4885
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 SMPD1 3884/4885SLC6A5 35/4885MEN1 1440/4885

“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.