SCHEMBL3335308

SCHEMBL3335308

COc1ccc2cc(-c3ccc4c(c3)OCCO4)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
CLK1 P49759 1/20 0.51
MAPT P10636 4/20 0.50
TP53 P04637 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL745193 0.84 PKM (0.54) ALDH1A1LMNAHTTALOX15ALOX12
SCHEMBL30627606 0.84 PKM (0.54) ALDH1A1LMNAHTTALOX15ALOX12
SCHEMBL13730164 0.82 CASP3 (0.62) ALDH1A1LMNAHTTALOX15ALOX12
SCHEMBL12051687 0.80 HSD17B1 (0.83) HSD17B1HSD17B2RAB9ANPC1CYP11B1
SCHEMBL11723032 0.80 HSD17B1 (0.83) HSD17B1HSD17B2RAB9ANPC1CYP11B1
SCHEMBL107850 0.79 MAPT (0.53) LMNAHTTMAPTTP53RAB9A
SCHEMBL15982325 0.79 MAPT (0.53) LMNAHTTMAPTTP53RAB9A
SCHEMBL14964120 0.79 MAPT (0.53) LMNAHTTMAPTTP53RAB9A
SCHEMBL14959930 0.79 MAPT (0.53) LMNAHTTMAPTTP53RAB9A
SCHEMBL16773395 0.79 MAPT (0.53) LMNAHTTMAPTTP53RAB9A

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 HSD17B1 3141/4885HSD17B2 3705/4885ALDH1A1 3687/4885

“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.