SCHEMBL10022992

SCHEMBL10022992

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
NOS1 P29475 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
APLNR P35414 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
SCHEMBL5606835 0.78 LMNA (0.41) MAPK1CYP2D6HTT
SCHEMBL18206866 0.76 EGLN1 (0.37) CTSKCYP2D6CA1CA2CA7
SCHEMBL18206869 0.76 EGLN1 (0.37) CTSKCYP2D6CA1CA2CA7
SCHEMBL5547017 0.75 DGAT1 (0.36) MAPK1CTSKCYP2D6CA1CA2
SCHEMBL10904902 0.75 MAPK1 (0.37) MAPK1
SCHEMBL7361092 0.74 TSHR (0.44) CA1CA2CA7NOS1NOS3
SCHEMBL7361094 0.74 TSHR (0.44) CA1CA2CA7NOS1NOS3
SCHEMBL18206813 0.74 TSHR (0.44) CA1CA2CA7NOS1NOS3
SCHEMBL19719243 0.74 MAPK1 (0.31) MAPK1
SCHEMBL18206584 0.74 SMN1; SMN2 (0.36) CTSKCYP2D6

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-20120052041-A1 POLYMERIC NANOPARTICLES WITH ENHANCED DRUG-LOADING AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-03-01 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-20120052041-A1 POLYMERIC NANOPARTICLES WITH ENHANCED DRUG-LOADING AND METHODS OF USE THEREOF LDHB, ADH1A, AKR1B10 MAPK1 2137/4885CTSK 4343/4885CYP2D6 769/4885

“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.