SCHEMBL522584

SCHEMBL522584

[O]Cc1ccccc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
NAAA Q02083 1/20 0.43
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
SLC6A3 Q01959 5/20 0.40
PTGS2 P35354 1/20 0.39
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
CEL P19835 2/20 0.35
PTPN1 P18031 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR1A P08908 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2C P28335 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 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
SCHEMBL27468638 0.98 PTGDR2 (0.46) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL17986291 0.91 SLC6A2 (0.42) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL12474580 0.83 PTGDR2 (0.44) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL5821254 0.82 PTGDR2 (0.46) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL7257808 0.79 PTGDR2 (0.44) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL7258388 0.79 SLC6A2 (0.40) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL677120 0.79 SLC6A2 (0.40) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL3750890 0.79 SLC6A2 (0.40) PTGDR2NAAASLC6A2SLC6A4SLC6A3
SCHEMBL2442841 0.79 PTGDR2 (0.41) PTGDR2NAAASLC6A2SLC6A4SLC6A3
Formaldehyde SCHEMBL27876727 0.79 PTGDR2 (0.44) PTGDR2NAAASLC6A2SLC6A4SLC6A3

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
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 PTGDR2 2768/4885NAAA 834/4885SLC6A2 3005/4885

“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.