SCHEMBL13520169

SCHEMBL13520169

CC1CCc2c(O)ccc(O)c2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
MAOA P21397 3/20 0.42
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ADRA2A P08913 3/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36
MAOB P27338 3/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL13519615 0.77 ADRB2 (0.35) MAOAADRA2AADRA2BADRA2CADRA1D
SCHEMBL14490157 0.74 DRD2 (0.41) HPGDMAOADRD2DRD3MAOB
SCHEMBL7079080 0.74 MAOA (0.46) MAOADRD2MAOB
SCHEMBL13443211 0.73 HPGD (0.40) HPGDMAOACA1CA9MAOB
SCHEMBL12599523 0.72 HPGD (0.38) HPGDCA1CA9KDM4EALDH1A1
SCHEMBL1285699 0.70 MAOA (0.51) HPGDMAOADRD2MAOBKDM4E
SCHEMBL30962312 0.70 HPGD (0.35) HPGDMAOACA1CA9MAOB
SCHEMBL13443205 0.69 HPGD (0.35) HPGDCA1CA9KDM4E
SCHEMBL31314432 0.68 ALOX5 (0.41) HPGDCA1CA9LMNACASP1
SCHEMBL1567962 0.68 ALOX5 (0.41) HPGDCA1CA9LMNACASP1

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-8362243-B2 Method for selective localization of active agents at and in mitochondria and corresponding active agents UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2013-01-29 US disclosed
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2010-01-14 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-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS TFB2M, TFAM, SHMT2 HPGD 304/4885MAOA 840/4885CA1 1327/4885

“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.