SCHEMBL584781

SCHEMBL584781

OCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 3/20 0.50
TSHR P16473 1/20 0.50
FOLH1 Q04609 1/20 0.50
TTR P02766 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ATM Q13315 1/20 0.49
C5AR1 P21730 1/20 0.49
UBE2N P61088 1/20 0.49

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
SCHEMBL30280404 1.00 SLC2A1 (0.56) SLC2A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6035606 0.92 MEN1 (0.60) SLC2A1NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL698056 0.90 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL3239903 0.90 BCHE (0.60) NPC1RAB9ASMN1; SMN2HTTHSD17B10
SCHEMBL31361425 0.90 BCHE (0.60) NPC1RAB9ASMN1; SMN2HTTHSD17B10
SCHEMBL31725848 0.90 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13448174 0.87 SLC2A1 (0.54) SLC2A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6044557 0.87 MTNR1A (0.47) SLC2A1NPC1RAB9AHSD17B10POLB
SCHEMBL31040308 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL30027542 0.86 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDMAPT

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444569-A Triphenylhydroxytyrosol and synthesis method thereof and application of triphenylhydroxytyrosol in preparation of medicines for improving aortic endothelial cell functions 西安交通大学 2023-07-18 CN disclosed
CN-115850334-A Triphenylphosphonium-hydroxytyrosol, synthesis method thereof and application thereof in preparing drugs for inhibiting cancer cell proliferation 西安交通大学 2023-03-28 CN disclosed
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
EP-2417119-B1 NO-CARRIER-ADDED NUCLEOPHILIC ÝF-18¨FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-12-21 EP disclosed
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 US disclosed
US-8742139-B2 No-carrier-added nucleophilic [F-18] fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-03 US disclosed
WO-2013062762-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC (US) 2013-05-02 WO disclosed
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed
US-20030186943-A1 Substituted gamma-phenyl-delta-lactams and uses related thereto INFLAZYME PHARMACEUTICALS LTD. (CA) 2003-10-02 US disclosed
US-6555572-B2 Reducing the vomiting side effects of phosphodiesterase inhibitors, e.g. Rolipram, Ariflo, by benzylation by benzyl bromide or a derivative INFLAZYME PHARMACEUTICALS LTD. (CA) 2003-04-29 US disclosed
EP-1265861-A2 BENZYLATED PDE4 INHIBITORS Inflazyme Pharmaceuticals, Ltd. (CA) 2002-12-18 EP disclosed
US-6458829-B1 OR LACTAMS THEY MAY BE FORMULATED INTO PHARMACEUTICAL COMPOSITIONS, AND/OR USED IN THE TREATMENT OR PREVENTION OF INFLAMMATION INFLAZYME PHARMACEUTICALS LTD. (CA) 2002-10-01 US disclosed
US-20020028842-A1 Benzylated PDE4 inhibitors BIOLIPOX AB (SE) 2002-03-07 US disclosed
WO-2001068600-A2 BENZYLATED PDE4 INHIBITORS INFLAZYME PHARMACEUTICALS LIMITED (CA) 2001-09-20 WO disclosed
EP-1112262-A1 SUBSTITUTED $g(g)-PHENYL-$g(D)-LACTONES AND ANALOGS THEREOF AND USES RELATED THERETO Inflazyme Pharmaceuticals, Ltd. (CA) 2001-07-04 EP disclosed
WO-2000014083-A1 SUBSTITUTED η-PHENYL-Δ-LACTONES AND ANALOGS THEREOF AND USES RELATED THERETO INFLAZYME PHARMACEUTICALS LTD. (CA) 2000-03-16 WO disclosed
US-4218479-A Novel benzylalcohols and pharmaceutical compositions and use thereof TANABE SEIYAKU CO., LTD. (JP) 1980-08-19 US disclosed
US-4131686-A ANTIDIABETIC TANABE SEIYAKU CO., LTD. (JP) 1978-12-26 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 (3 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-20030186943-A1 Substituted gamma-phenyl-delta-lactams and uses related thereto DDO, GLA, PIGO SLC2A1 3392/4885NPC1 2914/4885RAB9A 2685/4885
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SNCA, PARK7, APP SLC2A1 3428/4885NPC1 253/4885RAB9A 318/4885
US-20020028842-A1 Benzylated PDE4 inhibitors PDE4B, PDE4A, PDE3B SLC2A1 3058/4885NPC1 3724/4885RAB9A 1744/4885

“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.