SCHEMBL18239573

SCHEMBL18239573

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CTSA P10619 1/20 0.36
ACHE P22303 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL18235523 0.91 TSHR (0.40) TSHRCTSAACHE
SCHEMBL18235508 0.85 ALDH1A1 (0.36) TSHRCTSAACHE
SCHEMBL18235487 0.83 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18239656 0.83 CTSA (0.36) TSHRCTSAACHEKDM4ETDP1
SCHEMBL18239578 0.81 CTSA (0.34) TSHRCTSAACHEKDM4ETDP1
SCHEMBL18239572 0.78 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18239625 0.78 LMNA (0.32) CTSAACHE
SCHEMBL18235519 0.77 TSHR (0.34) TSHR
SCHEMBL18235496 0.76 TSHR (0.33) TSHR
SCHEMBL80155 0.75 CTSA (0.56) TSHRCTSAACHEKDM4ETDP1

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 TSHR 1135/4885CTSA 3774/4885ACHE 1571/4885

“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.