SCHEMBL7236349

SCHEMBL7236349

Fc1ccc(Oc2ccc(F)cc2C[C@@H]2CO2)c(C[C@@H]2CO2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.51
SLC6A2 P23975 18/20 0.51
SLC6A3 Q01959 17/20 0.51
HTR2A P28223 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3373106 1.00 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL3373109 1.00 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL1422669 0.79 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL3401884 0.79 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL3401890 0.79 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL1422672 0.79 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL13067285 0.79 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3
SCHEMBL3372443 0.78 ALDH1A1 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL6305830 0.78 ALDH1A1 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL1312619 0.78 ALDH1A1 (0.46) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566538-B1 Preparation of 5-(aryloxymethyl)-g-butyrolactone derivatives MILLENNIUM PHARMACEUTICALS, INC. 2003-05-20 US disclosed
US-6433197-B1 REACTING ARYLHYDROXY COMPOUND AND AN EPOXY COMPOUND TO FORM AN EPOXY-ARYL ETHER; REACTING EPOXY-ARYL ETHER WITH ACTIVE METHYLENE COMPOUND TO FORM A LACTONE; REDUCING TO PROVIDE HYDROXY-SUBSTITUTED TETRAHYDROFURAN MILLENNIUM PHARMACEUTICALS, INC. 2002-08-13 US disclosed
EP-1115702-A4 SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF MILLENNIUM PHARM INC (US) 2002-04-17 EP disclosed
US-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-04-04 US disclosed
EP-1115702-A1 SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF Millennium Pharmaceuticals, Inc. (US) 2001-07-18 EP disclosed
WO-2000001670-A1 SUBSTITUTED NITROGEN AND SULFUR ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF LEUKOSITE, INC. (US) 2000-01-13 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-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof OXER1, COX6C, MT-CO2 SLC6A4 4263/4885SLC6A2 4075/4885SLC6A3 3806/4885

“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.