SCHEMBL4257219

SCHEMBL4257219

CC(C)(C)c1cccc(C2CCC(=CCO)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
DRD2 P14416 2/20 0.39
HTR2C P28335 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
MGLL Q99685 6/20 0.35
ACSS2 Q9NR19 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL4260860 0.76 ESR2 (0.61) ESR2DRD2HTR2COPRM1OPRD1
SCHEMBL4260089 0.76 HTR2C (0.44) ESR2DRD2HTR2COPRM1OPRD1
SCHEMBL5729468 0.76 HTR2C (0.44) ESR2DRD2HTR2CMGLLHDAC4
SCHEMBL4266572 0.75 ESR2 (0.49) ESR2DRD2HTR2COPRM1OPRD1
SCHEMBL4257214 0.74 KIF11 (0.41) ESR2OPRM1OPRD1HDAC4HDAC2
SCHEMBL5730254 0.74 HTR2C (0.45) ESR2DRD2HTR2COPRM1OPRD1
SCHEMBL2874346 0.74 KMO (0.49) DRD2HTR2COPRM1OPRD1HDAC4
SCHEMBL4267628 0.73 DRD2 (0.35) DRD2HTR2COPRM1OPRD1MGLL
SCHEMBL4403469 0.71 HTR2C (0.45) DRD2HTR2CMGLL
SCHEMBL4402405 0.71 HTR2C (0.71) DRD2HTR2C

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 18 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-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP claimed
EP-1773756-A2 OXIME DERIVATIVE SUBSTITUTED 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-1773756-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
EP-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 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
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO disclosed
WO-2006010095-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS INC. (US) 2006-01-26 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 (4 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 ESR2 1536/4885DRD2 4051/4885HTR2C 2931/4885
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP ESR2 1536/4885DRD2 4051/4885HTR2C 2931/4885
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP ESR2 1536/4885DRD2 4051/4885HTR2C 2931/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP ESR2 1720/4885DRD2 4016/4885HTR2C 2984/4885

“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.