SCHEMBL19682240

SCHEMBL19682240

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD209 Q9NNX6 1/20 0.48
▸ GJB2 P29033 4/20 0.41
▸ PTN P21246 1/20 0.36
▸ MDK P21741 1/20 0.36
▸ BDNF P23560 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ LGALS3 P17931 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ IGF2R P11717 4/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ HPSE Q9Y251 2/20 0.32

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
SCHEMBL28111519 0.87 GJB2 (0.44) CD209GJB2PTNMDKBDNF
SCHEMBL28111520 0.87 GJB2 (0.44) CD209GJB2PTNMDKBDNF
SCHEMBL19682308 0.84 CD209 (0.42) CD209GJB2PTNMDKBDNF
SCHEMBL19682243 0.83 CD209 (0.36) CD209GJB2HPSE
SCHEMBL18653473 0.83 GJB2 (0.50) GJB2TNFLGALS3MAPK1IGF2R
SCHEMBL18653423 0.83 GJB2 (0.50) GJB2TNFLGALS3MAPK1IGF2R
SCHEMBL13760997 0.83 GJB2 (0.47) GJB2TNFMAPK1IGF2RGBA1
SCHEMBL19453257 0.83 GJB2 (0.40) CD209GJB2PTNMDKBDNF
SCHEMBL19682306 0.81 GJB2 (0.49) GJB2TNFMAPK1IGF2RGBA1
SCHEMBL8686418 0.80 GBA1 (0.53) GJB2TNFMAPK1IGF2RGBA1

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 4753/4885PTN 2906/4885

“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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