SCHEMBL26939746

SCHEMBL26939746

CCCCCC(CCC)NCCCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.41
GNAI3 P08754 5/20 0.40
GNAI1 P63096 5/20 0.40
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
USP2 O75604 1/20 0.37
CXCR4 P61073 2/20 0.37
SOD3 P08294 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL31729661 0.88 GNAO1 (0.45) GNAO1GNAI3GNAI1TLR8TLR7
SCHEMBL13976317 0.88 GNAO1 (0.45) GNAO1GNAI3GNAI1TLR8TLR7
SCHEMBL25408317 0.88 GNAO1 (0.45) GNAO1GNAI3GNAI1TLR8TLR7
SCHEMBL20979276 0.85 CARM1 (0.39) GNAO1GNAI3GNAI1TLR8TLR7
SCHEMBL21348179 0.85 USP2 (0.44) GNAO1GNAI3GNAI1TLR8TLR7
SCHEMBL21730424 0.84 HRH3 (0.41) GNAO1GNAI3GNAI1USP2ALDH1A1
SCHEMBL20333633 0.84 USP2 (0.43) GNAO1GNAI3GNAI1TLR8TLR7
SCHEMBL9322304 0.81 CARM1 (0.41) GNAO1GNAI3GNAI1TLR8TLR7
SCHEMBL26941612 0.81 CARM1 (0.41) GNAO1GNAI3GNAI1USP2ALDH1A1
SCHEMBL21730510 0.80 HRH3 (0.44) GNAO1GNAI3GNAI1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 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-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 GNAO1 3817/4885GNAI3 2132/4885GNAI1 2532/4885

“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.