SCHEMBL4426008

SCHEMBL4426008

O=CC(O)Cc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
HSPA5 P11021 1/20 0.46
AKR1B1 P15121 1/20 0.45
CA12 O43570 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 5/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MPO P05164 1/20 0.40
IDO1 P14902 2/20 0.39
PKM P14618 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
MGLL Q99685 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
SCHEMBL9365669 0.80 HSPA5 (0.46) TSHRCYP2D6HIF1AHSPA5AKR1B1
SCHEMBL3272345 0.78 TSHR (0.45) TSHRCYP2D6HIF1AHSPA5AKR1B1
SCHEMBL6552200 0.78 PPARG (0.41) TSHRTAAR1
SCHEMBL8931392 0.76 HSPA5 (0.56) TSHRCYP2D6HIF1AHSPA5AKR1B1
SCHEMBL6444453 0.76 CTNNB1 (0.53) CYP2D6
SCHEMBL4638605 0.74 AKR1B1 (0.44) CYP2D6HSPA5AKR1B1IDO1
SCHEMBL514290 0.72 EPHX1 (0.50) TAAR1PKM
SCHEMBL5561130 0.72 EPHX1 (0.50) TAAR1PKM
SCHEMBL122782 0.72 EPHX1 (0.50) TAAR1PKM
SCHEMBL3705105 0.72 HSPA5 (0.52) TSHRCYP2D6HIF1AHSPA5AKR1B1

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 16 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
US-5683705-A Sulfur-based amides and bis-amides useful against skin disorders ESTEE LAUDER, INC. (US) 1997-11-04 US 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 TSHR 992/4885CYP2D6 1413/4885HIF1A 2384/4885

“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.