SCHEMBL4259802

SCHEMBL4259802

CON=C1CC[C](c2cccc(C(C)(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSD11B1 P28845 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTAFR P25105 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ACHE P22303 1/20 0.30
CTSA P10619 1/20 0.30

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
SCHEMBL4267024 0.84 KIF11 (0.39) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL4266567 0.81 KIF11 (0.44) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL4267622 0.81 KIF11 (0.36) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL4263272 0.81 KIF11 (0.36) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL4263445 0.79 KIF11 (0.41) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL4262634 0.79 KIF11 (0.41) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL4264351 0.78 KIF11 (0.41) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL5729463 0.76 KIF11 (0.47) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL4260083 0.76 KIF11 (0.51) KIF11RXRARXRBTMEM97SIGMAR1
SCHEMBL2874345 0.75 KIF11 (0.50) KIF11RXRARXRBTMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-02-12 US claimed
US-7385085-B2 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-06-10 US claimed
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors JOHN VARGHESE 2007-06-28 US claimed
EP-1773756-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP claimed
EP-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP claimed
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-22 US claimed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US claimed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO claimed
WO-2006010095-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS INC. (US) 2006-01-26 WO claimed
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-7385085-B2 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors JOHN VARGHESE 2007-06-28 US disclosed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-22 US disclosed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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 (5 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-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP KIF11 4817/4885RXRA 4441/4885RXRB 4307/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP KIF11 4615/4885RXRA 4803/4885RXRB 4806/4885
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP KIF11 4817/4885RXRA 4441/4885RXRB 4307/4885
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP KIF11 4817/4885RXRA 4441/4885RXRB 4307/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP KIF11 4833/4885RXRA 4390/4885RXRB 4253/4885

“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.