SCHEMBL4429090

SCHEMBL4429090

O=[C]C(O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
TSHR P16473 1/20 0.43
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CA12 O43570 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
FYN P06241 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL11208061 0.79 GABRA1 (0.50) GABRA1GABRB2TSHRHPGDPOLB
SCHEMBL639888 0.77 TSHR (0.52) GABRA1GABRB2TSHRHPGDPOLB
SCHEMBL22144403 0.77 TSHR (0.52) GABRA1GABRB2TSHRHPGDPOLB
SCHEMBL17038537 0.77 GABRA1 (0.48) GABRA1GABRB2TSHRHPGDPOLB
SCHEMBL3764158 0.77 ESR1 (0.46) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL911040 0.76 GABRA1 (0.58) GABRA1GABRB2TSHRHPGDPOLB
SCHEMBL8943608 0.76 CES2 (0.48) ALDH1A1MAPTCYP3A4ALOX15MEN1
SCHEMBL4840123 0.76 ACP3 (0.43) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL11204715 0.76 GABRA1 (0.46) GABRA1GABRB2TSHRHPGDPOLB
SCHEMBL30195663 0.75 GABRA1 (0.62) GABRA1GABRB2TSHRHPGDPOLB

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 23 patents — showing the first 20. 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
CN-1674918-A Compositions, formulations and kits for treating respiratory and pulmonary diseases using dehydroepiandrosterone steroids and antimuscarinic drugs EPIGENESIS PHARMACEUTICALS INC (US) 2005-09-28 CN 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-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
WO-1997010255-A1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER, INC. (US) 1997-03-20 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 (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 GABRA1 2948/4885GABRB2 4176/4885TSHR 992/4885

“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.