SCHEMBL13477368

SCHEMBL13477368

COC(=O)/C(C)=N/OCF

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.34
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TET2 Q6N021 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL13477370 0.83 MAPT (0.38) MAPT
SCHEMBL8439968 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8439966 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13477371 0.77
SCHEMBL10020203 0.74
SCHEMBL8443559 0.71
SCHEMBL8443561 0.71
SCHEMBL13477366 0.70 MAPT (0.38) MAPT
SCHEMBL22179885 0.67 NPC1 (0.33) TET2EGLN1
SCHEMBL10859600 0.67 TRPA1 (0.35) ALDH1A1MGAMGAASIMGAM2

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-20170296508-A1 Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2017-10-19 US disclosed
EP-3040073-A1 APPLICATIONS OF SUBSTITUENT BENZYLOXY GROUP CONTAINING ETHER COMPOUNDS FOR PREPARING ANTITUMOR DRUGS Sinochem Corporation (CN) 2016-07-06 EP disclosed
EP-2149564-A1 SUBSTITUTED PYRIMIDINE ETHER COMPOUNDS AND THEIR USE Sinochem Corporation (CN) 2010-02-03 EP 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-20170296508-A1 Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, TPD52L2 ALDH1A1 1819/4885MAPT 4870/4885MGAM 3610/4885

“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.