SCHEMBL13746200

SCHEMBL13746200

CCCCOCC1O[C@H](OC)C(N=[N+]=[N-])C(OCCCC)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.41
▸ GJB2 P29033 4/20 0.40
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ GBA1 P04062 1/20 0.32
▸ CD209 Q9NNX6 1/20 0.32
▸ IGF2R P11717 4/20 0.30

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
SCHEMBL13806499 0.88 TNF (0.40) TNFGJB2CD209
SCHEMBL14900306 0.88 TNF (0.40) TNFGJB2CD209
SCHEMBL15296514 0.88 TNF (0.40) TNFGJB2CD209
SCHEMBL14817730 0.88 TNF (0.40) TNFGJB2CD209
SCHEMBL15482156 0.87 GJB2 (0.37) TNFGJB2GBA1
SCHEMBL16351048 0.87 GJB2 (0.37) TNFGJB2GBA1
SCHEMBL14864775 0.87 TNF (0.37) TNFGJB2IGF2R
SCHEMBL13806497 0.86 GJB2 (0.40) TNFGJB2SSTR1SSTR2SSTR4
SCHEMBL18948258 0.86 GJB2 (0.37) TNFGJB2
SCHEMBL14554179 0.82 GJB2 (0.37) TNFGJB2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317846-A1 Production Of L-Iduronate Containing Polysaccharides THE UNIVERSITY OF MANCHESTER (GB) 2010-12-16 — — US disclosed
WO-2009098449-A1 PRODUCTION OF L-IDURONATE CONTAINING POLYSACCHARIDES THE UNIVERSITY OF MANCHESTER (GB) 2009-08-13 — — WO 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-20100317846-A1 Production Of L-Iduronate Containing Polysaccharides IDUA, IDO1, IDO2 TNF 2484/4885GJB2 4854/4885SSTR1 1355/4885

“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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