SCHEMBL7092727

SCHEMBL7092727

CCCCCCCCCCCCCC[C@@H](O)CNCCCNCCCCNCCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.48
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
TSHR P16473 2/20 0.42
CA12 O43570 2/20 0.42
F13A1 P00488 2/20 0.42
CA2 P00918 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
THPO P40225 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42

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
SCHEMBL27591629 1.00 RELA (0.48) RELAGNAI3GNAO1GNAI1ANPEP
SCHEMBL27591426 1.00 RELA (0.48) RELAGNAI3GNAO1GNAI1ANPEP
SCHEMBL7093133 0.97 GNAI3 (0.48) RELAGNAI3GNAO1GNAI1ANPEP
SCHEMBL7497784 0.97 GNAI3 (0.48) RELAGNAI3GNAO1GNAI1ANPEP
SCHEMBL7095309 0.97 GNAI3 (0.48) RELAGNAI3GNAO1GNAI1ANPEP
Hydrochloric Acid SCHEMBL7096803 0.95 GNAI3 (0.47) RELAGNAI3GNAO1GNAI1ANPEP
SCHEMBL6825299 0.95 GNAI3 (0.49) RELAGNAI3GNAO1GNAI1ANPEP
SCHEMBL10382687 0.95 SPHK1 (0.44) RELAGNAI3GNAO1GNAI1ANPEP
SCHEMBL9705885 0.93 GNAI3 (0.50) GNAI3GNAO1GNAI1ANPEPERAP2
Oxalic Acid SCHEMBL27591695 0.93 RELA (0.46) RELAGNAI3GNAO1GNAI1ANPEP

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-20030166601-A1 Novel colloid synthetic vectors for gene therapy WOODLE MARTIN C (US) 2003-09-04 US disclosed
EP-1242609-A2 NOVEL COLLOID SYNTHETIC VECTORS FOR GENE THERAPY Novartis AG (CH) 2002-09-25 EP disclosed
WO-2001049324-A2 NOVEL COLLOID SYNTHETIC VECTORS FOR GENE THERAPY NOVARTIS AG (CH) 2001-07-12 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 (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-20030166601-A1 Novel colloid synthetic vectors for gene therapy FUS, HNRNPUL2, HNRNPH1 RELA 2728/4885GNAI3 2162/4885GNAO1 3571/4885

“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.