SCHEMBL8259358

SCHEMBL8259358

CC(C)CCOc1ccccc1-c1ccccc1OCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
IDO1 P14902 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 1/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.52
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8258174 0.87 HTT (0.62) HTTIDO1POLBSMN1; SMN2KDM4E
SCHEMBL8252739 0.80 IDO1 (0.57) HTTIDO1POLBSMN1; SMN2KDM4E
SCHEMBL8259056 0.78 ALDH1A1 (0.54) HTTL3MBTL1POLBSMN1; SMN2GLA
SCHEMBL24196139 0.77 MAPK1 (0.51) HTTIDO1L3MBTL1POLBSMN1; SMN2
SCHEMBL568543 0.76 HTT (0.74) HTTIDO1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5172254 0.76 HTT (0.74) HTTIDO1SMN1; SMN2KDM4EALDH1A1
SCHEMBL29829739 0.76 HTT (0.74) HTTIDO1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8115884 0.76 L3MBTL1 (0.71) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL26213516 0.76 MAPK1 (0.50) HTTIDO1SMN1; SMN2KDM4EALDH1A1
1,2-Diisopentoxybenzene SCHEMBL2843498 0.76 HTT (0.62) HTTIDO1L3MBTL1POLBSMN1; SMN2

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 HTT 3861/4885IDO1 183/4885L3MBTL1 3820/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN HTT 3544/4885IDO1 307/4885L3MBTL1 3778/4885

“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.