SCHEMBL3333120

SCHEMBL3333120

COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 7/20 0.54
TP53 P04637 7/20 0.54
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 4/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
POLB P06746 3/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PDCD1 Q15116 2/20 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
SCHEMBL3336557 0.84 KDM4E (0.52) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL30091333 0.80 CD274 (0.57) KDM4EALDH1A1TP53MAPTMEN1
SCHEMBL23078735 0.80 CD274 (0.57) KDM4EALDH1A1TP53MAPTMEN1
SCHEMBL6131949 0.77 KDM4E (0.49) KDM4EALDH1A1TP53MAPTMEN1
SCHEMBL14428909 0.75 MAPT (0.68) KDM4EALDH1A1TP53MAPTMEN1
SCHEMBL26680845 0.74 CA12 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3338556 0.74 SLC6A3 (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL14886743 0.74 GSK3A (0.58) KDM4EALDH1A1TP53MAPTMEN1
SCHEMBL27915674 0.74 SLC6A3 (0.69) KDM4EMAPTKMT2AHPGDGAA
SCHEMBL27915582 0.74 KDM4E (0.65) KDM4EALDH1A1MAPTMEN1KMT2A

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 6 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

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 KDM4E 1608/4885ALDH1A1 3687/4885TP53 630/4885

“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.