SCHEMBL3334895

SCHEMBL3334895

Oc1ccc2cc(-c3ccc4cc[nH]c4c3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.71
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
ALOX15 P16050 1/20 0.60
RAD51 Q06609 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ESR1 P03372 10/20 0.59
ESR2 Q92731 10/20 0.59
ABL1 P00519 2/20 0.55
ABCB1 P08183 2/20 0.55
BCR P11274 2/20 0.55
HSD17B1 P14061 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 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
HSD17B2 P37059 1/20 0.53
MEN1 O00255 1/20 0.46

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
SCHEMBL1225643 0.89 TYR (0.70) TYRUSP2GAAALOX15RAD51
Hydrochloric Acid SCHEMBL27297304 0.87 TYR (0.68) TYRUSP2GAAALOX15RAD51
Bromide SCHEMBL27298210 0.87 TYR (0.68) TYRUSP2GAAALOX15RAD51
SCHEMBL29355861 0.84 TYR (1.00) TYRUSP2GAAALOX15RAD51
SCHEMBL34240 0.84 TYR (1.00) TYRUSP2GAAALOX15RAD51
SCHEMBL7084471 0.81 NPC1 (0.58) TYRESR1ESR2HSD17B1HSD17B2
SCHEMBL5447196 0.81 TYR (0.84) TYRUSP2GAAALOX15RAD51
SCHEMBL30275026 0.79 ESR2 (0.90) ESR1ESR2ABL1ABCB1BCR
SCHEMBL5425451 0.79 ESR2 (0.90) ESR1ESR2ABL1ABCB1BCR
SCHEMBL27500072 0.77 USP2 (0.70) TYRUSP2GAAALOX15RAD51

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 TYR 1151/4885USP2 996/4885GAA 229/4885

“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.