SCHEMBL5864208

SCHEMBL5864208

CC1=C(C)CC(CO)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
ESR2 Q92731 1/20 0.32

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
SCHEMBL17106344 1.00 BRD4 (0.33) BRD4ESR2
SCHEMBL17106345 1.00 BRD4 (0.33) BRD4ESR2
SCHEMBL5864220 0.82 BRD4 (0.37) BRD4ESR2
SCHEMBL5864445 0.82
SCHEMBL12048468 0.76
SCHEMBL6911419 0.76 NCF1 (0.34)
SCHEMBL5864406 0.73 NOS3 (0.33)
SCHEMBL28699727 0.72
SCHEMBL17106195 0.71 MAPT (0.36)
SCHEMBL6907723 0.71 NOS3 (0.34)

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122847-A1 PERFUME SYSTEMS The Procter & Gamble Company (US) 2017-02-01 EP claimed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US claimed
WO-2015148743-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2015-10-01 WO claimed
US-20150275132-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2015-10-01 US claimed
US-7097890-B1 Polymer with pendent cyclic olefinic functions for oxygen scavenging packaging CHEVRON PHILLIPS CHEMICAL CO. LP (US) 2006-08-29 US claimed
EP-1066337-B1 OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS CHEVRON PHILLIPS CHEMICAL CO (US) 2004-11-03 EP claimed
EP-3521409-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2024-08-14 EP disclosed
EP-3521409-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2019-08-07 EP disclosed
EP-3122847-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-05-15 EP disclosed
EP-3122847-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-05-15 EP disclosed
US-20180042234-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2018-02-15 US disclosed
US-20170037014-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-02-09 US disclosed
EP-3122847-A1 PERFUME SYSTEMS The Procter & Gamble Company (US) 2017-02-01 EP disclosed
US-7323485-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2008-01-29 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ALLERGAN, INC. 2007-03-29 US disclosed
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ALLERGAN, INC. 2007-03-29 US disclosed
US-7097890-B1 Polymer with pendent cyclic olefinic functions for oxygen scavenging packaging CHEVRON PHILLIPS CHEMICAL CO. LP (US) 2006-08-29 US disclosed
EP-1066337-B1 OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS CHEVRON PHILLIPS CHEMICAL CO (US) 2004-11-03 EP 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-20160289593-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 BRD4 4741/4885ESR2 4200/4885
US-20170037014-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, NOX3 BRD4 3112/4885ESR2 3815/4885
US-20150275132-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 BRD4 4741/4885ESR2 4200/4885
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ADRA2A, ADRA2B, ADRB2 BRD4 2452/4885ESR2 305/4885
US-20180042234-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, NOX1 BRD4 3219/4885ESR2 3965/4885

“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.