SCHEMBL6263199

SCHEMBL6263199

CON=C(C)C(=NOC)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THPO P40225 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
SCHEMBL6263196 1.00 TSHR (0.33) TSHRTHRBBLMPMP22NPSR1
SCHEMBL7620117 1.00 TSHR (0.33) TSHRTHRBBLMPMP22NPSR1
SCHEMBL1424739 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1783555 0.86 ALDH1A1 (0.37) TSHRTHRBBLMPMP22NPSR1
SCHEMBL7942903 0.86 ALDH1A1 (0.37) TSHRTHRBBLMPMP22NPSR1
SCHEMBL10582699 0.85 THRB (0.42) TSHRTHRBBLMPMP22NPSR1
SCHEMBL10582693 0.85 THRB (0.48) TSHRTHRBBLMPMP22NPSR1
SCHEMBL6263167 0.85 THRB (0.48) TSHRTHRBBLMPMP22NPSR1
SCHEMBL14781080 0.83
SCHEMBL17279084 0.82 ALDH1A1 (0.40) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117636-B1 METHOD FOR PREPARING TRION-BIS(OXIME ETHER) DERIVATIVES ANDRION-MONO AND TRION-BIS(OXIME ETHER) DERIVATIVES OBTAINED THEREWITH BASF AG (DE) 2002-12-11 EP claimed
US-6441236-B1 HYDROLYSIS, AMINATION BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US claimed
EP-1296939-B1 METHOD FOR THE PRODUCTION OF TRIOXIME DERIVATIVES BASF AG (DE) 2005-11-09 EP disclosed
US-6906223-B2 Method for the production of trioxime derivatives BASF AG (DE) 2005-06-14 US disclosed
US-20030163002-A1 Method for the production of trioxime derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-6441236-B1 HYDROLYSIS, AMINATION BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 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-20030163002-A1 Method for the production of trioxime derivatives CBR3, TDO2, CBR1 TSHR 1871/4885THRB 883/4885BLM 91/4885

“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.