SCHEMBL1858039

SCHEMBL1858039

[CH]1OCC(COCc2ccccc2)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
TSHR P16473 1/20 0.45
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
DRD1 P21728 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL715660 0.80 LMNA (0.57) LMNATAAR1TSHRHRH4HRH3
SCHEMBL306297 0.80 LMNA (0.57) LMNATAAR1TSHRHRH4HRH3
SCHEMBL153049 0.80 LMNA (0.57) LMNATAAR1TSHRHRH4HRH3
SCHEMBL16993434 0.79 LMNA (0.55) LMNATAAR1TSHRHRH4HRH3
Water SCHEMBL8913477 0.79 LMNA (0.55) LMNATAAR1TSHRHRH4HRH3
Ammonia Solution, Strong SCHEMBL28849284 0.79 LMNA (0.55) LMNATAAR1TSHRHRH4HRH3
Ethylene SCHEMBL27465209 0.77 LMNA (0.54) LMNATAAR1TSHRHRH4HRH3
SCHEMBL5152191 0.77 SLC6A2 (0.43) TAAR1
Methyl Alcohol SCHEMBL2110245 0.76 LMNA (0.53) LMNATAAR1TSHRHRH4HRH3
Methyl Alcohol SCHEMBL7344184 0.76 LMNA (0.53) LMNATAAR1TSHRHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 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-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD LMNA 3100/4885TAAR1 4083/4885TSHR 2765/4885

“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.