SCHEMBL16770697

SCHEMBL16770697

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
THRB P10828 2/20 0.47
CYP2D6 P10635 2/20 0.47
CA2 P00918 6/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NR3C1 P04150 1/20 0.43
FYN P06241 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
BCHE P06276 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 5/20 0.40

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
SCHEMBL13286212 1.00 HSD17B10 (0.47) HSD17B10THRBCYP2D6CA2ALDH1A1
SCHEMBL13286207 1.00 HSD17B10 (0.47) HSD17B10THRBCYP2D6CA2ALDH1A1
SCHEMBL13286213 1.00 HSD17B10 (0.47) HSD17B10THRBCYP2D6CA2ALDH1A1
SCHEMBL14221807 1.00 HSD17B10 (0.47) HSD17B10THRBCYP2D6CA2ALDH1A1
SCHEMBL6983984 0.95 THRB (0.53) HSD17B10THRBCYP2D6CA2ALDH1A1
SCHEMBL6976048 0.95 THRB (0.53) HSD17B10THRBCYP2D6CA2ALDH1A1
SCHEMBL16126907 0.93 CYP2D6 (0.55) HSD17B10THRBCYP2D6CA2MAPT
SCHEMBL16126902 0.93 CYP2D6 (0.55) HSD17B10THRBCYP2D6CA2ALDH1A1
SCHEMBL16126900 0.93 CYP2D6 (0.55) HSD17B10THRBCYP2D6CA2ALDH1A1
SCHEMBL16126847 0.93 CYP2D6 (0.55) HSD17B10THRBCYP2D6CA2ALDH1A1

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-20150152129-A1 Synthetic Oligosaccharides for P. Aeruginosa Vaccine SYNGLYCO, INC. 2015-06-04 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-20150152129-A1 Synthetic Oligosaccharides for P. Aeruginosa Vaccine DDOST, FUT5, FUT6 HSD17B10 3303/4885THRB 4539/4885CYP2D6 3461/4885

“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.