SCHEMBL3333256

SCHEMBL3333256

COc1ccc2[nH]cc(-c3c(C(=O)O)[nH]c4ccccc34)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.50
▸ KMT2A Q03164 7/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ HPGD P15428 5/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ GPR84 Q9NQS5 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47

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
SCHEMBL5432407 0.84 ALDH1A1 (0.64) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18392204 0.79 ABCG2 (0.57) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18392428 0.79 ABCG2 (0.52) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL11735516 0.79 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18392173 0.78 ABCG2 (0.54) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4883914 0.77 KDM4E (0.72) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4040857 0.77 MAPT (0.57) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL13302308 0.76 PTPN5 (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
Lycogalic Acid A SCHEMBL29465596 0.75 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1HPGD
Lycogalic Acid A SCHEMBL12955978 0.75 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1HPGD

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 MEN1 3370/4885KMT2A 3262/4885KDM4E 1608/4885

“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.

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