SCHEMBL4423685

SCHEMBL4423685

O=[C]C(O)c1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.48
KDM4E B2RXH2 9/20 0.48
RECQL P46063 8/20 0.48
MAPT P10636 8/20 0.48
BLM P54132 7/20 0.48
LMNA P02545 5/20 0.48
APEX1 P27695 4/20 0.48
KMT2A Q03164 4/20 0.48
ADRA1A P35348 3/20 0.48
MEN1 O00255 3/20 0.48
MAPK1 P28482 3/20 0.48
ADRB2 P07550 3/20 0.48
HPGD P15428 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
ADRB3 P13945 2/20 0.48
DRD2 P14416 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 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
SCHEMBL10621290 0.82 HSD17B10 (0.43) PTGS2CYP3A4PTGS1TSHRHIF1A
SCHEMBL7262480 0.78 TSHR (0.50) TDP1KDM4ERECQLMAPTBLM
SCHEMBL891506 0.78 TSHR (0.50) TDP1KDM4ERECQLMAPTBLM
SCHEMBL7964647 0.77 TSHR (0.61) BLMKMT2AMEN1CYP3A4TSHR
SCHEMBL8895695 0.77 TDP1 (0.50) TDP1KDM4ERECQLMAPTBLM
SCHEMBL7192536 0.77 TDP1 (0.50) TDP1KDM4ERECQLMAPTBLM
SCHEMBL6875459 0.75 ESR1 (0.44) TDP1KDM4ERECQLMAPTBLM
SCHEMBL29102057 0.74 TDP1 (0.68) TDP1KDM4ERECQLMAPTBLM
SCHEMBL9347001 0.74 TDP1 (0.51) TDP1KDM4ERECQLMAPTBLM
SCHEMBL10786647 0.72 BLM (0.61) TDP1KDM4ERECQLMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511500-A4 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS EPIGENESIS PHARMACEUTICALS LLC (US) 2009-04-29 EP claimed
JP-2006504666-A 2006-02-09 JP claimed
EP-1511500-A2 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS Epigenesis Pharmaceuticals, Inc. (US) 2005-03-09 EP claimed
WO-2004014293-A2 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS EPIGENESIS PHARMACEUTICALS, INC. (US) 2004-02-19 WO claimed
US-20030216329-A1 Composition, formulations & kit for treatment of respiratory & lung disease with dehydroepiandrosterone(s) steroid & an anti-muscarinic agent(s) EPEGENESIS PHARMACEUTICALS, INC. 2003-11-20 US claimed
US-6284750-B1 DRUG, COSMETICS STEROID ESTEE LAUDER INC. 2001-09-04 US claimed
EP-0876391-B1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC (US) 2000-08-16 EP claimed
US-6025347-A Steroid esters useful against skin disorders ESTEE LAUDER INC. (US) 2000-02-15 US claimed
US-5948418-A MERCAPTANS ESTEE LAUDER, INC. (US) 1999-09-07 US claimed
EP-0876391-A4 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC (US) 1998-12-30 EP claimed
EP-0876391-A1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC. (US) 1998-11-11 EP claimed
US-5683705-A Sulfur-based amides and bis-amides useful against skin disorders ESTEE LAUDER, INC. (US) 1997-11-04 US claimed
WO-1997010255-A1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER, INC. (US) 1997-03-20 WO claimed
US-6284750-B1 DRUG, COSMETICS STEROID ESTEE LAUDER INC. 2001-09-04 US disclosed
EP-0876391-B1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC (US) 2000-08-16 EP disclosed
US-6025347-A Steroid esters useful against skin disorders ESTEE LAUDER INC. (US) 2000-02-15 US disclosed
US-5948418-A MERCAPTANS ESTEE LAUDER, INC. (US) 1999-09-07 US disclosed
US-5736537-A Dehydroep:androsterone sailcylate useful against skin atrophy ESTEE LAUDER, INC. (US) 1998-04-07 US disclosed
US-5683705-A Sulfur-based amides and bis-amides useful against skin disorders ESTEE LAUDER, INC. (US) 1997-11-04 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-20030216329-A1 Composition, formulations & kit for treatment of respiratory & lung disease with dehydroepiandrosterone(s) steroid & an anti-muscarinic agent(s) KIT, NR5A1, CHRM5 TDP1 3506/4885KDM4E 1130/4885RECQL 521/4885

“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.