SCHEMBL16756017

SCHEMBL16756017

COc1ccc2[nH]c(CC(C)O)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.63
MTNR1A P48039 2/20 0.54
MTNR1B P49286 1/20 0.54
AXL P30530 1/20 0.53
HRH3 Q9Y5N1 3/20 0.52
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 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
SCHEMBL15902409 0.88 LOXL2 (0.67) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL11622077 0.81 LOXL2 (0.71) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL867547 0.80 LOXL2 (0.75) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL2157095 0.79 LOXL2 (0.73) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL3828574 0.78 LOXL2 (0.58) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL11160135 0.78 LOXL2 (0.71) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL3507809 0.78 LOXL2 (1.00) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL7952644 0.76 LOXL2 (0.69) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL15224006 0.76 MTNR1A (0.65) LOXL2MTNR1AMTNR1BAXLHRH3
SCHEMBL16756016 0.76 MTNR1A (0.66) LOXL2MTNR1AMTNR1BAXLHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061994-B1 Materials and methods useful to induce vacuolization, cell death, or a combination thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-23 US disclosed
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-04 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-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof BECN1, BAD, BAX LOXL2 1188/4885MTNR1A 2714/4885MTNR1B 3049/4885

“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.