SCHEMBL15975989

SCHEMBL15975989

CCCCOC1[C@@H](OCCCC)C(C)O[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
OGA O60502 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CA9 Q16790 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
PRKCA P17252 2/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
PPP5C P53041 1/20 0.33
GBA1 P04062 1/20 0.33
CYP2D6 P10635 2/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL13166717 1.00 BCHE (0.43) BCHEOGAALDH1A1CA9CA2
SCHEMBL17266918 0.93 BCHE (0.41) BCHEOGAALDH1A1CA9CA2
SCHEMBL3345485 0.90 BCHE (0.41) BCHEOGAALDH1A1PRKCAPRKD3
SCHEMBL3345490 0.90 BCHE (0.41) BCHEOGAALDH1A1PRKCAPRKD3
SCHEMBL15975866 0.87 GBA1 (0.42) BCHEALDH1A1CA9CA2CA12
SCHEMBL16770477 0.85 ALDH1A1 (0.37) BCHEALDH1A1CA9CA2CA12
SCHEMBL15975868 0.85 ALDH1A1 (0.37) BCHEALDH1A1CA9CA2CA12
SCHEMBL15975985 0.85 ALDH1A1 (0.37) BCHEALDH1A1CA9CA2CA12
SCHEMBL18714576 0.81 OGA (0.42) BCHEOGAALDH1A1CA2PRKCA
SCHEMBL16190620 0.81 OGA (0.37) BCHEOGACYP2D6THRBHSD17B10

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-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X INSTITUT PASTEUR (FR) 2015-02-19 US disclosed
US-8815239-B2 Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X INSTITUT PASTEUR (FR) 2014-08-26 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-20150050282-A1 GLYCOCONJUGATES AND USE THEREOF AS VACCINE AGAINST SHIGELLA FLEXNERI SEROTYPE 3a AND X ST3GAL3, SI, STT3A BCHE 2720/4885OGA 166/4885ALDH1A1 3090/4885

“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.