SCHEMBL567883

SCHEMBL567883

CS(=O)(=O)OC[C@H]1COc2cccc(OCc3ccccc3)c2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.41
ADRA1D P25100 5/20 0.40
ADRA1A P35348 5/20 0.40
ADRA1B P35368 5/20 0.40
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 2/20 0.37
CA2 P00918 1/20 0.37
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL567354 0.91 ADRA1D (0.40) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL8192039 0.80 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL15865422 0.80 PYGL (0.38) FFAR1RECQLPOLB
SCHEMBL15865418 0.80 PYGL (0.38) FFAR1RECQLPOLB
SCHEMBL15865484 0.78 MAOB (0.52) FFAR1
SCHEMBL567322 0.78 MAOB (0.52) FFAR1
SCHEMBL567621 0.78 MAOB (0.52) FFAR1
SCHEMBL1545420 0.77 CA2 (0.55) MAPK1L3MBTL1CA2RECQLTSHR
SCHEMBL7982000 0.77 CA2 (0.55) MAPK1L3MBTL1CA2RECQLTSHR
SCHEMBL2544576 0.77 CA2 (0.55) MAPK1L3MBTL1CA2RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2012-02-09 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-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES PMP22, NPY2R, ADRA2C HTR1A 207/4885ADRA1D 135/4885ADRA1A 231/4885

“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.