SCHEMBL4964294

SCHEMBL4964294

CNCC1COc2cccc(-c3ccccc3OC)c2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 17/20 0.54
ADRA1A P35348 17/20 0.54
ADRA1B P35368 17/20 0.54
HTR1A P08908 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL4961213 0.91 ADRA1D (0.57) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL8131142 0.89 ADRA1D (0.65) ADRA1DADRA1AADRA1BHTR1AALDH1A1
Hydrochloric Acid SCHEMBL8126724 0.87 ADRA1D (0.67) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL4984814 0.87 ADRA1D (0.48) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL4963419 0.85 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL8230077 0.85 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL6104735 0.85 HTR6 (0.44) ADRA1DADRA1AADRA1BALDH1A1CYP2D6
SCHEMBL4964306 0.83 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL4962088 0.82 CA2 (0.53) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL4961831 0.82 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A ADRA1D 21/4885ADRA1A 37/4885ADRA1B 42/4885

“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.