SCHEMBL3345490

SCHEMBL3345490

CCCCCO[C@H]1[C@@H](OC(C)=O)O[C@H](C)[C@H]1OCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
GBA1 P04062 2/20 0.41
MAPK1 P28482 2/20 0.38
PRKCA P17252 2/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
TNF P01375 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
CES2 O00748 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
OGA O60502 1/20 0.33
LMNA P02545 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
SCHEMBL3345485 1.00 BCHE (0.41) BCHEGBA1MAPK1PRKCAPRKD3
SCHEMBL13166717 0.90 BCHE (0.43) BCHEGBA1MAPK1PRKCAPRKD3
SCHEMBL15975989 0.90 BCHE (0.43) BCHEGBA1MAPK1PRKCAPRKD3
SCHEMBL15975866 0.85 GBA1 (0.42) BCHEGBA1MAPK1TNFALDH1A1
SCHEMBL17266918 0.83 BCHE (0.41) BCHEGBA1MAPK1PRKCAPRKD3
SCHEMBL8992926 0.82 GBA1 (0.46) GBA1MAPK1TNFALDH1A1TSHR
SCHEMBL6574209 0.82 GBA1 (0.46) GBA1MAPK1TNFALDH1A1TSHR
SCHEMBL6574204 0.82 GBA1 (0.46) GBA1MAPK1TNFALDH1A1TSHR
SCHEMBL10895352 0.80 BCHE (0.43) BCHEGBA1MAPK1TNFALDH1A1
SCHEMBL3344752 0.80 BCHE (0.43) BCHEGBA1MAPK1TNFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394935-B2 Method for producing furanose derivative API CORPORATION (JP) 2013-03-12 US disclosed
US-20100105890-A1 METHOD FOR PRODUCING FURANOSE DERIVATIVE API CORPORATION (JP) 2010-04-29 US disclosed
EP-2105445-A1 METHOD FOR PRODUCTION OF FURANOSE DERIVATIVE API Corporation (JP) 2009-09-30 EP 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-20100105890-A1 METHOD FOR PRODUCING FURANOSE DERIVATIVE DERA, ALDOA, DPYD BCHE 1903/4885GBA1 1692/4885MAPK1 4584/4885

“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.