SCHEMBL942069

SCHEMBL942069

O=C(O)c1c(O)cccc1CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC28A3 Q9HAS3 2/20 0.55
PTPN1 P18031 1/20 0.52
SLC5A1 P13866 1/20 0.49
MAOB P27338 1/20 0.48
BID P55957 4/20 0.45
MCL1 Q07820 4/20 0.45
BCL2L1 Q07817 3/20 0.45
BAK1 Q16611 3/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45

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
SCHEMBL943234 0.93 SLC28A3 (0.57) SLC28A3PTPN1SLC5A1MAOBMCL1
SCHEMBL940441 0.88 SLC28A3 (0.60) SLC28A3PTPN1SLC5A1MCL1
SCHEMBL940116 0.78 SLC28A3 (0.81) SLC28A3PTPN1SLC5A1
SCHEMBL941047 0.78 MAOB (0.53) SLC28A3PTPN1SLC5A1MAOBMCL1
SCHEMBL28720616 0.78 MAOB (0.54) SLC28A3PTPN1SLC5A1MAOB
SCHEMBL28254468 0.76 MAOB (0.61) SLC5A1MAOBMCL1
SCHEMBL27722633 0.76 MAOB (0.61) SLC5A1MAOBMCL1
SCHEMBL941361 0.76 PPARG (0.53) SLC28A3SLC5A1MAOBPPARGPPARA
SCHEMBL941331 0.76 PPARG (0.55) SLC28A3MAOBPPARGPPARA
SCHEMBL12610429 0.75 SLC28A3 (0.55) SLC28A3PTPN1SLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014141-A1 TOPICAL AGENT FOR DERMATOLOGICAL USE DSM IP ASSETS B.V. (NL) 2011-01-20 US disclosed
EP-1859835-A2 Topical agent for dermatological use containing 4-hydroxyphenyl-alpha-D-glucopyranoside PENTAPHARM Ltd. (CH) 2007-11-28 EP disclosed
US-20030198610-A1 Topical agent for dermatological use DSM IP ASSETS B.V. (NL) 2003-10-23 US disclosed
EP-1289489-A2 TOPICAL AGENT FOR DERMATOLOGICAL USE CONTAINING 4-HYDROXYPHENYL-ALPHA-D-GLUCOPYRANOSIDE PENTAPHARM Ltd. (CH) 2003-03-12 EP disclosed
WO-2001091715-A2 TOPICAL AGENT FOR DERMATOLOGICAL USE CONTAINING 4-HYDROXYPHENYL-ALPHA-D-GLUCOPYRANOSIDE PENTAPHARM LTD. (CH) 2001-12-06 WO 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 (2 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-20110014141-A1 TOPICAL AGENT FOR DERMATOLOGICAL USE GALE, ALPP, UGGT1 SLC28A3 2245/4885PTPN1 2641/4885SLC5A1 1371/4885
US-20030198610-A1 Topical agent for dermatological use GALE, UGGT1, UGDH SLC28A3 2040/4885PTPN1 2683/4885SLC5A1 1242/4885

“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.