SCHEMBL941044

SCHEMBL941044

O=C(O)c1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SLC5A2 P31639 3/20 0.54
APP P05067 1/20 0.52
AKR1B1 P15121 1/20 0.49
DPP4 P27487 1/20 0.49
PTPN1 P18031 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
SLC5A1 P13866 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC28A2 O43868 1/20 0.48

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
SCHEMBL940961 0.90 SLC5A2 (0.54) NPC1RAB9ASLC5A2APPPTPN1
SCHEMBL941509 0.90 MAOB (0.58) NPC1RAB9APPARGPPARDPPARA
SCHEMBL941331 0.88 PPARG (0.55) NPC1RAB9APPARGPPARDPPARA
SCHEMBL4635640 0.84 NPC1 (0.68) NPC1RAB9AAKR1B1DPP4PTPN1
SCHEMBL14975517 0.81 SLC5A2 (0.61) SLC5A2PPARGPPARDPPARASLC5A1
SCHEMBL16227542 0.81 SLC5A2 (0.61) SLC5A2PPARGPPARDPPARASLC5A1
SCHEMBL14975518 0.81 SLC5A2 (0.61) SLC5A2PPARGPPARDPPARASLC5A1
SCHEMBL8652659 0.80 APP (0.55) SLC5A2APPPTPN1PPARGPPARD
SCHEMBL28867299 0.80 TYR (0.66) SLC5A2PPARGPPARDPPARASLC5A1
SCHEMBL943278 0.80 MAOB (0.58) PPARGPPARDPPARASLC5A1HPGD

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 3 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

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 NPC1 2633/4885RAB9A 4832/4885SLC5A2 1353/4885
US-20030198610-A1 Topical agent for dermatological use GALE, UGGT1, UGDH NPC1 2969/4885RAB9A 4806/4885SLC5A2 1116/4885

“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.