SCHEMBL3334396

SCHEMBL3334396

Oc1ccc2cc(-c3cccc(Oc4ccccn4)c3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.53
ESR1 P03372 6/20 0.53
HSD17B1 P14061 3/20 0.53
HSD17B2 P37059 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAP4K4 O95819 1/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP19A1 P11511 1/20 0.49
IP6K1 Q92551 1/20 0.45
IP6K3 Q96PC2 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44

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
SCHEMBL5686998 0.85 SCN7A (0.47) ESR2ESR1CYP1A2TLR4TLR2
SCHEMBL5109000 0.85 MAP4K4 (0.57) CYP1A2CYP2C9CYP2C19MAP4K4IP6K1
SCHEMBL2582155 0.82 TLR4 (0.50) CYP3A4MAP4K4IP6K1IP6K3IP6K2
SCHEMBL30843232 0.82 TLR4 (0.50) CYP3A4MAP4K4IP6K1IP6K3IP6K2
SCHEMBL29612417 0.77 TLR4 (0.56) CYP1A2CYP2C9CYP2C19MAP4K4IP6K1
SCHEMBL12129555 0.77 TLR4 (0.56) CYP1A2CYP2C9CYP2C19MAP4K4IP6K1
SCHEMBL14032161 0.75 MAP4K4 (0.62) CYP1A2CYP2C9CYP2C19MAP4K4CYP11B1
SCHEMBL15602369 0.75 TLR4 (0.55) CYP1A2CYP2C9CYP2C19MAP4K4IP6K1
SCHEMBL5108402 0.74 MAP4K4 (0.60) CYP1A2CYP2C9CYP2C19MAP4K4IP6K1
SCHEMBL2587134 0.74 MAP4K4 (0.56) CYP1A2CYP2C9CYP2C19MAP4K4CYP11B1

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 3580/4885HSD17B1 3141/4885

“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.