SCHEMBL4706930

SCHEMBL4706930

CC(C)=CCC(C)(C)C1OCC=CCO1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ADRB2 P07550 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5013837 0.79 TSHR (0.39) TSHRALDH1A1POLBADRB2MAPT
SCHEMBL10652829 0.70
SCHEMBL809010 0.61
SCHEMBL1698052 0.60 KMT2A (0.41) TSHRALDH1A1
SCHEMBL4277832 0.60
SCHEMBL14019227 0.59
SCHEMBL15187605 0.59
SCHEMBL2012222 0.58
SCHEMBL294741 0.58
SCHEMBL9659277 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293616-A1 Use of 2-(1,1,4-Trimethylpent-3-Enyl)-4,7-Dihydro-1,3-Dioxepine SYMRISE GMBH & CO. KG (DE) 2008-11-27 US claimed
EP-1753851-A1 USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE Symrise GmbH & Co. KG (DE) 2007-02-21 EP claimed
WO-2005103213-A1 USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE SYMRISE GMBH & CO. KG (DE) 2005-11-03 WO claimed
US-20080293616-A1 Use of 2-(1,1,4-Trimethylpent-3-Enyl)-4,7-Dihydro-1,3-Dioxepine SYMRISE GMBH & CO. KG (DE) 2008-11-27 US disclosed
US-20080293616-A1 Use of 2-(1,1,4-Trimethylpent-3-Enyl)-4,7-Dihydro-1,3-Dioxepine SYMRISE GMBH & CO. KG (DE) 2008-11-27 US disclosed
US-20080293616-A1 Use of 2-(1,1,4-Trimethylpent-3-Enyl)-4,7-Dihydro-1,3-Dioxepine SYMRISE GMBH & CO. KG (DE) 2008-11-27 US disclosed
EP-1992606-A1 Alkene acetals and their use as odorous substances Symrise GmbH & Co. KG (DE) 2008-11-19 EP disclosed
EP-1753851-A1 USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE Symrise GmbH & Co. KG (DE) 2007-02-21 EP disclosed
EP-1753851-A1 USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE Symrise GmbH & Co. KG (DE) 2007-02-21 EP disclosed
EP-1753851-A1 USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE Symrise GmbH & Co. KG (DE) 2007-02-21 EP disclosed
WO-2005103213-A1 USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE SYMRISE GMBH & CO. KG (DE) 2005-11-03 WO disclosed
WO-2005103213-A1 USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE SYMRISE GMBH & CO. KG (DE) 2005-11-03 WO disclosed
WO-2005103213-A1 USE OF 2-(1,1,4-TRIMETHYLPENT-3-ENYL)-4,7-DIHYDRO-1,3-DIOXEPINE SYMRISE GMBH & CO. KG (DE) 2005-11-03 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 (1 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-20080293616-A1 Use of 2-(1,1,4-Trimethylpent-3-Enyl)-4,7-Dihydro-1,3-Dioxepine DBN1, DPY30, TPH1 TSHR 4578/4885ALDH1A1 707/4885POLB 2540/4885

“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.