SCHEMBL18239656

SCHEMBL18239656

CC(C)OP(=O)(OC(C)OC(=O)O)OC(C)OC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL18239573 0.83 TSHR (0.48) CTSAACHEKDM4ETDP1TSHR
SCHEMBL18239578 0.81 CTSA (0.34) CTSAACHEKDM4ETDP1TSHR
SCHEMBL18239625 0.78 LMNA (0.32) CTSAACHE
SCHEMBL18239655 0.78
SCHEMBL18235519 0.77 TSHR (0.34) TSHR
SCHEMBL1832832 0.77 SMPD1 (0.32) KDM4ETDP1
SCHEMBL80155 0.75 CTSA (0.56) CTSAACHEKDM4ETDP1ALDH1A1
SCHEMBL18239576 0.75 ALDH1A1 (0.41) CTSAACHEALDH1A1
SCHEMBL18235523 0.75 TSHR (0.40) CTSAACHEALDH1A1TSHR
SCHEMBL25311925 0.74 CTSA (0.43) CTSAACHEKDM4ETDP1ALDH1A1

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-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS LIXTE BIOTECHNOLOGY, INC. (US) 2016-11-17 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-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS UGT2B7, UGT1A6, UGT1A1 CTSA 3774/4885ACHE 1571/4885KDM4E 1836/4885

“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.