SCHEMBL4169387

SCHEMBL4169387

CCCCCCCC(N)CCCNCCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.46
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
S1PR2 O95136 3/20 0.44
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
DNM1 Q05193 3/20 0.44
S1PR4 O95977 2/20 0.44
CASP2 P42575 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.44
F13A1 P00488 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CA4 P22748 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
SCHEMBL3628865 1.00 RELA (0.46) RELAGNAI3GNAO1GNAI1S1PR2
Fluoride SCHEMBL28332009 0.94 RELA (0.49) RELAGNAI3GNAO1GNAI1S1PR2
SCHEMBL2123615 0.94 RELA (0.45) RELAGNAI3GNAO1GNAI1S1PR2
SCHEMBL16429465 0.92 ALDH1A1 (0.50) RELAGNAI3GNAO1GNAI1DNM1
SCHEMBL6429352 0.89 ALDH1A1 (0.50) RELAGNAI3GNAO1GNAI1S1PR2
SCHEMBL11830992 0.89 ALDH1A1 (0.50) RELAGNAI3GNAO1GNAI1S1PR2
SCHEMBL16247033 0.87 ALDH1A1 (0.48) RELAGNAI3GNAO1GNAI1DNM1
SCHEMBL22401552 0.87 ALDH1A1 (0.48) RELAGNAI3GNAO1GNAI1DNM1
SCHEMBL17541814 0.87 ALDH1A1 (0.48) RELAGNAI3GNAO1GNAI1DNM1
SCHEMBL6303906 0.86 TSHR (0.50) RELAGNAI3GNAO1GNAI1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8821754-B2 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2014-09-02 US disclosed
US-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2009-05-07 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-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AQP1, AQP3, AQP4 RELA 2195/4885GNAI3 2157/4885GNAO1 878/4885

“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.