SCHEMBL19682243

SCHEMBL19682243

CCCCOC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@@H](OCCCC)C1O[PH](=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD209 Q9NNX6 1/20 0.36
▸ GJB2 P29033 4/20 0.36
▸ HPSE Q9Y251 5/20 0.33
▸ FGF1 P05230 3/20 0.31
▸ FGF2 P09038 3/20 0.31
▸ VEGFA P15692 3/20 0.31

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
SCHEMBL19682238 0.84 AKT1 (0.32) —
SCHEMBL19682246 0.84 AKT1 (0.32) —
SCHEMBL19682240 0.83 CD209 (0.48) CD209GJB2HPSE
SCHEMBL19682252 0.78 NT5E (0.44) —
SCHEMBL19453257 0.76 GJB2 (0.40) CD209GJB2HPSEVEGFA
SCHEMBL19682267 0.75 GJB2 (0.37) GJB2
SCHEMBL19682265 0.75 GJB2 (0.35) GJB2
SCHEMBL13893876 0.75 SSTR1 (0.38) CD209GJB2HPSE
SCHEMBL16374731 0.75 GJB2 (0.45) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL18333049 0.75 GJB2 (0.45) GJB2HPSEFGF1FGF2VEGFA

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 CD209 81/4885GJB2 4753/4885HPSE 1844/4885

“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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