SCHEMBL13701161

SCHEMBL13701161

CCCCCCOCC[N+](C)(C)CCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.65
DNM1 Q05193 8/20 0.62
KMT2A Q03164 2/20 0.54
HSP90AA1 P07900 2/20 0.52
RAD52 P43351 2/20 0.52
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
ESR1 P03372 1/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
ADRB2 P07550 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51

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
Bromide SCHEMBL10492636 0.98 DNM1 (0.64) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL9962965 0.96 HTT (0.60) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL13701162 0.96 HTT (0.65) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL31347475 0.96 HTT (0.71) HTTDNM1KMT2AHSP90AA1RAD52
SCHEMBL31347471 0.96 HTT (0.71) HTTDNM1KMT2AHSP90AA1RAD52
Fluoride Ion SCHEMBL10492624 0.94 HTT (0.62) HTTDNM1KMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL2912559 0.93 HTT (0.54) HTTDNM1KMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL7940293 0.93 HTT (0.68) HTTDNM1KMT2AHSP90AA1RAD52
Bromide SCHEMBL11440547 0.93 DNM1 (0.70) HTTDNM1KMT2AHSP90AA1RAD52
Bromide SCHEMBL11651371 0.93 DNM1 (0.70) HTTDNM1KMT2AHSP90AA1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090235574-A1 Production of Bio-Diesel EARLE MARTYN J 2009-09-24 US disclosed
US-20090216015-A1 Base Stable Ionic Liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-08-27 US disclosed
US-20090216015-A1 Base Stable Ionic Liquids THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2009-08-27 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-20090216015-A1 Base Stable Ionic Liquids BRAF, TIAL1, HPRT1 HTT 3942/4885DNM1 2265/4885KMT2A 2455/4885

“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.