SCHEMBL19196760

SCHEMBL19196760

CC1C(OCc2ccccc2)[C@H](OCCN=[N+]=[N-])O[C@@H](COCc2ccccc2)[C@H]1O[C@@H]1OC(COCc2ccccc2)[C@H](O[C@H]2OC(COCc3ccccc3)[C@H](O)[C@H](O)C2OCc2ccccc2)[C@H](O)C1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CD209 Q9NNX6 1/20 0.45
▸ GJB2 P29033 5/20 0.45
▸ LGALS3 P17931 2/20 0.41
▸ GJA1 P17302 3/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SSTR5 P35346 1/20 0.39
▸ PTPN1 P18031 4/20 0.38
▸ CDC25B P30305 3/20 0.38

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
SCHEMBL13557604 0.98 CD209 (0.47) CD209GJB2LGALS3GJA1SLC6A2
SCHEMBL13557611 0.89 LGALS3 (0.47) CD209GJB2LGALS3GJA1SLC6A2
SCHEMBL25964138 0.88 LGALS3 (0.44) GJB2LGALS3GJA1SSTR1SSTR2
SCHEMBL15883027 0.87 GJB2 (0.42) CD209GJB2LGALS3GJA1SLC6A2
SCHEMBL13557609 0.86 NT5E (0.42) GJB2LGALS3SSTR1SSTR2SSTR4
SCHEMBL19682250 0.86 CD209 (0.45) CD209GJB2LGALS3SLC6A2SSTR1
SCHEMBL25270558 0.84 LGALS3 (0.48) CD209GJB2LGALS3SLC6A2SSTR1
SCHEMBL20648775 0.84 LGALS3 (0.48) CD209GJB2LGALS3SLC6A2SSTR1
SCHEMBL21258926 0.84 CD209 (0.45) CD209GJB2LGALS3SLC6A2SSTR1
SCHEMBL13557582 0.82 SSTR1 (0.41) GJB2LGALS3SSTR1SSTR2SSTR4

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-20170218027-A1 FUNCTIONAL LIPID CONSTRUCTS KODE BIOTECH LIMITED (NZ) 2017-08-03 — — 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-20170218027-A1 FUNCTIONAL LIPID CONSTRUCTS CETP, LCAT, LIPA CD209 329/4885GJB2 3029/4885LGALS3 130/4885

“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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