SCHEMBL15975985

SCHEMBL15975985

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
GBA1 P04062 2/20 0.37
BCHE P06276 1/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL15975868 1.00 ALDH1A1 (0.37) ALDH1A1GBA1BCHECA9CA12
SCHEMBL16770477 1.00 ALDH1A1 (0.37) ALDH1A1GBA1BCHECA9CA12
SCHEMBL16492113 0.90 GBA1 (0.39) ALDH1A1GBA1BCHECA9CA12
SCHEMBL15975977 0.87 GBA1 (0.36) ALDH1A1GBA1BCHEMAPK1CYP3A4
SCHEMBL14944257 0.86 GBA1 (0.44) ALDH1A1GBA1PPP5CHPGDTSHR
SCHEMBL26824609 0.86 GBA1 (0.44) ALDH1A1GBA1PPP5CHPGDTSHR
SCHEMBL3006755 0.86 GBA1 (0.44) ALDH1A1GBA1PPP5CHPGDTSHR
SCHEMBL17371176 0.86 GBA1 (0.44) ALDH1A1GBA1PPP5CHPGDTSHR
SCHEMBL14363776 0.86 GBA1 (0.44) ALDH1A1GBA1PPP5CHPGDTSHR
SCHEMBL15975976 0.85 GBA1 (0.35) GBA1BCHEMAPK1CYP3A4

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 ALDH1A1 3090/4885GBA1 296/4885BCHE 2720/4885

“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.