SCHEMBL4166786

SCHEMBL4166786

CCCCC(CC)CN(C)CCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.44
CHRM2 P08172 2/20 0.39
GGPS1 O95749 3/20 0.35
CA2 P00918 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DNM1 Q05193 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL21689253 0.88 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL14580744 0.86 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL15563344 0.85 GGPS1 (0.49) ALDH1A1TDP1CYP3A4TSHRGGPS1
SCHEMBL28084013 0.85 GGPS1 (0.49) ALDH1A1TDP1CYP3A4TSHRGGPS1
SCHEMBL20298545 0.84 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL5574833 0.83 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL1397305 0.83 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL22198337 0.82 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCHRM2
SCHEMBL833730 0.82 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRCHRM2
Iodide SCHEMBL30985992 0.80 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256998-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL N.V. (NL) 2014-09-11 US disclosed
US-8821754-B2 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2014-09-02 US disclosed
EP-1996669-B1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL NV (NL) 2012-09-26 EP disclosed
US-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2009-05-07 US disclosed
EP-1996669-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES Akzo Nobel N.V. (NL) 2008-12-03 EP disclosed
WO-2007107502-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL N.V. (NL) 2007-09-27 WO 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-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AQP1, AQP3, AQP4 ALDH1A1 1672/4885TDP1 1536/4885CYP3A4 1801/4885
US-20140256998-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AQP1, AQP4, AQP3 ALDH1A1 2129/4885TDP1 1295/4885CYP3A4 1658/4885

“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.