SCHEMBL19682306

SCHEMBL19682306

CCCCOC[C@H]1O[C@@H](OCCN)[C@@H](OCCCC)C1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 5/20 0.49
▸ TNF P01375 1/20 0.39
▸ IGF2R P11717 6/20 0.37
▸ GBA1 P04062 2/20 0.37
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL13760997 0.89 GJB2 (0.47) GJB2TNFIGF2RGBA1MAPK1
SCHEMBL18653473 0.89 GJB2 (0.50) GJB2TNFIGF2RGBA1MAPK1
SCHEMBL18653423 0.89 GJB2 (0.50) GJB2TNFIGF2RGBA1MAPK1
SCHEMBL6408945 0.86 SSTR4 (0.48) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL8686677 0.85 GBA1 (0.53) GJB2TNFIGF2RGBA1MAPK1
SCHEMBL8691523 0.85 GBA1 (0.53) GJB2TNFIGF2RGBA1MAPK1
SCHEMBL12447492 0.85 GJB2 (0.53) GJB2TNFIGF2RGBA1MAPK1
SCHEMBL8686418 0.85 GBA1 (0.53) GJB2TNFIGF2RGBA1MAPK1
SCHEMBL8686417 0.85 GBA1 (0.53) GJB2TNFIGF2RGBA1MAPK1
SCHEMBL15482117 0.83 GJB2 (0.46) GJB2TNFIGF2RGBA1MAPK1

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-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY (US) 2017-12-07 — — 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-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A GJB2 4753/4885TNF 2514/4885IGF2R 249/4885

“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.

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