SCHEMBL3333263

SCHEMBL3333263

O=C(O)c1ccc(-c2ccc3cc(O)ccc3c2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.53
ESR1 P03372 8/20 0.53
ACMSD Q8TDX5 2/20 0.51
MCL1 Q07820 1/20 0.51
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
SOS1 Q07889 1/20 0.47
HIF1A Q16665 1/20 0.47
LDHA P00338 1/20 0.46
CYP3A4 P08684 1/20 0.45
HSD17B1 P14061 1/20 0.45

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
SCHEMBL3338556 0.83 SLC6A3 (0.58) ESR2ESR1MEN1NPC1KMT2A
SCHEMBL26682414 0.83 AKR1C3 (0.56) ACMSDMCL1HSD17B10POLBCYP2C9
SCHEMBL745519 0.78 ACMSD (0.49) ESR2ESR1ACMSDMCL1HSD17B10
SCHEMBL17177742 0.78 HSD17B10 (0.50) ACMSDMCL1HSD17B10POLBMEN1
SCHEMBL17164118 0.76 NR4A1 (0.52) ACMSDMCL1HSD17B10POLBCYP2C9
SCHEMBL591604 0.76 ESR2 (0.66) ESR2ESR1ACMSDMCL1MEN1
SCHEMBL14156901 0.76 CA12 (0.66) ESR2ESR1ACMSDCYP1A2CYP2D6
SCHEMBL3332983 0.75 GFER (0.42) ESR2ESR1ACMSDMCL1HSD17B10
SCHEMBL6937705 0.75 CA12 (0.53) ESR2ESR1HSD17B10POLBMEN1
SCHEMBL8512024 0.75 ESR2 (0.60) ESR2ESR1HSD17B10CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
EP-2081892-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS Queen's University at Kingston (CA) 2009-07-29 EP disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP ESR2 3333/4885ESR1 3580/4885ACMSD 4725/4885

“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.