SCHEMBL6628880

SCHEMBL6628880

C=CCOc1cc(OCc2ccccc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
BCHE P06276 2/20 0.51
MAOB P27338 10/20 0.50
ALOX5 P09917 1/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
MAOA P21397 2/20 0.47
MCL1 Q07820 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2096058 0.88 LMNA (0.61) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5204724 0.82 THRA (0.44) MAOAGAARAB9ASMN1; SMN2L3MBTL1
SCHEMBL6629023 0.82 BCHE (0.51) BCHEMAOBALOX5EGFRERBB2
SCHEMBL7290118 0.81 BCHE (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL20803040 0.81 GAA (0.59) CYP1A2BCHEMAOBMCL1GAA
SCHEMBL1550410 0.80 MAOB (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5111326 0.80 BCHE (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3919862 0.79 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7163366 0.79 BCHE (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8599201 0.79 LMNA (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381613-B1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED-(1,4)-BENZODIOXANS WYETH CORP (US) 2004-10-13 EP disclosed
CN-1503798-A Antidepressant azaheterocyclylmethyl derivatives of oxacyclo-fused- [1,4] benzodioxans 2004-06-09 CN disclosed
US-6706736-B2 AMINES SUCH AS 3-(1-((8-METHYL-2,3-DIHYDROFURO(2,3-F)(1,4) BENZODIOXIN-2-YL)METHYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE, ADMINISTERED AS SEROTONIN REUPTAKE INHIBITORS OR ANXIOLYTIC AGENTS WYETH 2004-03-16 US disclosed
EP-1381613-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED- 1,4]-BENZODIOXANS Wyeth (US) 2004-01-21 EP disclosed
US-20030162805-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2003-08-28 US disclosed
US-6552049-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-04-22 US disclosed
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans WYETH (US) 2002-12-05 US disclosed
WO-2002088135-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF OXAHETEROCYCLE-FUSED-[1,4]-BENZODIOXANS WYETH (US) 2002-11-07 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 (2 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-20030162805-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 LMNA 4362/4885CYP1A2 195/4885PTGS1 1600/4885
US-20020183353-A1 Antidepressant azaheterocyclylmethyl derivatives of oxaheterocycle-fused-[1,4]-benzodioxans OPRD1, OPRM1, OPRK1 LMNA 4325/4885CYP1A2 249/4885PTGS1 1443/4885

“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.