SCHEMBL18857032

SCHEMBL18857032

CP(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL14438559 0.75
SCHEMBL13772993 0.71
SCHEMBL301586 0.70 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL11301061 0.67 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL25097660 0.64
SCHEMBL3729759 0.64 TSHR (0.31) ALDH1A1TSHRTDP1
SCHEMBL453798 0.64 TDP1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL3902544 0.64 TSHR (0.31) ALDH1A1TSHRTDP1
SCHEMBL211658 0.64 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL2216329 0.64

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
CN-117964654-A Synthesis method of arginate-ammonium phosphonate 南京盛德创赢生物科技有限公司 2024-05-03 CN claimed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
WO-2017082924-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2017-05-18 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-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 ALDH1A1 1718/4885TSHR 4874/4885TDP1 2003/4885

“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.