SCHEMBL8252739

SCHEMBL8252739

CC(C)CCOc1ccccc1-c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
HTT P42858 1/20 0.53
MAPT P10636 2/20 0.47
JAK2 O60674 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
TLR8 Q9NR97 1/20 0.42
MCHR1 Q99705 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR7 P34969 1/20 0.41
ADRB2 P07550 1/20 0.41
ESR1 P03372 1/20 0.41
PDK2 Q15119 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL2839885 0.86 GAA (0.64) IDO1HTTMAPTJAK2LMNA
SCHEMBL27317852 0.82 LMNA (0.57) IDO1MAPTJAK2LMNAGAA
SCHEMBL6675757 0.81 LMNA (0.52) HTTMAPTJAK2LMNAGAA
SCHEMBL12100758 0.81 HTT (0.53) IDO1HTTMAPTJAK2LMNA
1,2-Diisopentoxybenzene SCHEMBL2843498 0.80 HTT (0.62) IDO1HTTMAPTJAK2LMNA
SCHEMBL8259358 0.80 HTT (0.56) IDO1HTTMAPTLMNASMN1; SMN2
SCHEMBL27555571 0.79 GAA (0.55) MAPTJAK2LMNAGAATP53
SCHEMBL904496 0.79 LMNA (0.53) IDO1HTTMAPTJAK2LMNA
SCHEMBL8258174 0.78 HTT (0.62) IDO1HTTMAPTLMNAGAA
SCHEMBL8736657 0.77 LMNA (0.52) IDO1MAPTJAK2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
EP-1836159-B1 Antibiotic binaphthyl derivatives UNIV WOLLONGONG (AU) 2013-04-10 EP disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
EP-2199300-A2 Peptidic compounds The University Of Wollongong (AU) 2010-06-23 EP disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 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 (2 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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN IDO1 183/4885HTT 3861/4885MAPT 2062/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN IDO1 307/4885HTT 3544/4885MAPT 2628/4885

“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.