SCHEMBL13616526

SCHEMBL13616526

CCCCCCCCCCCCNCCC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.57
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
S1PR2 O95136 5/20 0.52
S1PR4 O95977 5/20 0.52
S1PR1 P21453 5/20 0.52
S1PR3 Q99500 5/20 0.52
S1PR5 Q9H228 1/20 0.52
EPHX1 P07099 7/20 0.50
CASP2 P42575 1/20 0.50
NAAA Q02083 1/20 0.47
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46

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
SCHEMBL6655161 1.00 PAOX (0.57) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL13616527 1.00 PAOX (0.57) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL2628445 0.91 PAOX (0.50) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL19821367 0.89 EPHX2 (0.54)
SCHEMBL2628452 0.87 PAOX (0.68) PAOXALDH1A1TSHRS1PR2S1PR4
Acetone SCHEMBL7080505 0.86 ALDH1A1 (0.68) PAOXALDH1A1TSHRS1PR2S1PR4
Acetone SCHEMBL7077680 0.86 ALDH1A1 (0.68) PAOXALDH1A1TSHRS1PR2S1PR4
Acetone SCHEMBL7083131 0.86 ALDH1A1 (0.68) PAOXALDH1A1TSHRS1PR2S1PR4
Acetone SCHEMBL7079915 0.86 ALDH1A1 (0.68) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL19821364 0.85 ALOX5 (0.57) PAOXALDH1A1TSHRS1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009138341-A2 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS BASF SE (DE) 2009-11-19 WO disclosed
US-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CIBA CORP. 2009-11-19 US disclosed
US-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CIBA CORP. 2009-11-19 US disclosed
US-7238709-B2 Therapeutic carbamates THERAVANCE, INC. (US) 2007-07-03 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-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CUTA, PHOSPHO1, DPM1 PAOX 214/4885ALDH1A1 4256/4885TSHR 4515/4885

“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.