SCHEMBL17469476

SCHEMBL17469476

COC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.32
FAAH O00519 4/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KCNA5 P22460 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 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
SCHEMBL17469432 1.00 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL2614953 1.00 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL2544991 0.87
SCHEMBL55045 0.87
SCHEMBL53570 0.87
SCHEMBL14196343 0.85 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL12806454 0.85 MMP1 (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL25649638 0.85 ALDH1A1 (0.42) TSHRMGAMGAASIMGAM2
SCHEMBL28902938 0.84
Methyl Alcohol SCHEMBL27770158 0.84 TSHR (0.46) TSHRHSD17B10MGAMGAASI

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-20170196826-A1 Oligomeric forms of 3-hydroxybutyrate THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2017-07-13 US disclosed
US-20170196826-A1 Oligomeric forms of 3-hydroxybutyrate THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2017-07-13 US disclosed
WO-2016012657-A1 OLIGOMERIC FORMS OF 3-HYDROXYBUTYRATE OULUN YLIOPISTO (FI) 2016-01-28 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-20170196826-A1 Oligomeric forms of 3-hydroxybutyrate HADHB, ABAT, BCL2 TSHR 4397/4885HSD17B10 52/4885MGAM 987/4885

“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.