SCHEMBL940121

SCHEMBL940121

O=C(OCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
MAOB P27338 1/20 0.50
SLC28A3 Q9HAS3 2/20 0.48
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
PTPN1 P18031 1/20 0.44
HIF1A Q16665 1/20 0.43

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
SCHEMBL7193401 1.00 TDP1 (0.57) TDP1MAOBSLC28A3SLC5A1SLC5A2
SCHEMBL7193412 0.93 MAOB (0.54) TDP1MAOBSLC28A3SLC5A1SLC5A2
SCHEMBL7184467 0.87 SLC28A3 (0.51) TDP1MAOBSLC28A3SLC5A1SLC5A2
SCHEMBL4652290 0.82 SLC28A3 (0.55) MAOBSLC28A3SLC5A1SLC5A2PTPN1
SCHEMBL30803061 0.78 SLC28A3 (0.57) SLC28A3SLC5A1SLC5A2HIF1A
SCHEMBL940128 0.78 TYR (0.50) SLC28A3SLC5A1SLC5A2
SCHEMBL12610429 0.76 SLC28A3 (0.55) SLC28A3SLC5A1PTPN1HIF1A
SCHEMBL30803032 0.76 SLC28A3 (0.53) SLC28A3SLC5A1SLC5A2HIF1A
SCHEMBL12083356 0.75 TDP1 (1.00) TDP1
SCHEMBL4635870 0.75 SLC28A3 (0.56) SLC28A3SLC5A1SLC5A2HIF1A

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 TDP1 4401/4885MAOB 301/4885SLC28A3 2245/4885
US-20030198610-A1 Topical agent for dermatological use GALE, UGGT1, UGDH TDP1 4586/4885MAOB 304/4885SLC28A3 2040/4885

“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.