SCHEMBL6944366

SCHEMBL6944366

CCCOc1c(OCc2ccccc2)c[c]cc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.38
ADRA1D P25100 4/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38
AR P10275 3/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 2/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTAFR P25105 1/20 0.36
MGLL Q99685 2/20 0.36
PTGER1 P34995 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35

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
SCHEMBL6942480 0.89 PTAFR (0.39) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL9157909 0.80 PTAFR (0.49) MAPTMAPK1L3MBTL1HPGDRAB9A
SCHEMBL7591530 0.76 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BAR
SCHEMBL5253085 0.73 MAPT (0.50) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL4164605 0.72 MAPT (0.55) HTR1AARMAPTMAPK1TDP1
SCHEMBL27934804 0.72 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9100513 0.71 NPC1 (0.47) NPC1HPGDRAB9ASMN1; SMN2PTAFR
SCHEMBL7834430 0.70 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9100757 0.70 PTAFR (0.48) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL15922822 0.70 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121338-A4 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS MILLENNIUM PHARM INC (US) 2003-03-12 EP claimed
US-20020128491-A1 Method for synthesizing diaryl-substituted heterocyclic compounds, including tetrahydrofurans RAO ALLA VENKATA RAMA (IN) 2002-09-12 US claimed
EP-1121338-A1 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS Millennium Pharmaceuticals, Inc. (US) 2001-08-08 EP claimed
WO-2000023409-A1 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS LEUKOSITE, INC. (US) 2000-04-27 WO claimed
EP-1121338-A4 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS MILLENNIUM PHARM INC (US) 2003-03-12 EP disclosed
US-20020128491-A1 Method for synthesizing diaryl-substituted heterocyclic compounds, including tetrahydrofurans RAO ALLA VENKATA RAMA (IN) 2002-09-12 US disclosed
US-6403814-B1 REACTING WITH GRIGNARD REAGENT COMPOUND HAVING CARBON SUBSTITUTED BY ACETYLENE GROUP, ARYL GROUP AND HYDROXYL GROUP, HYDROGENATING ACETYLENE MOIETY OF REACTION PRODUCT, CYCLIZING TO PROVIDE DI-ARYL TETRAHYDROFURAN MILLENNIUM PHARMACEUTICALS, INC. 2002-06-11 US disclosed
EP-1121338-A1 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS Millennium Pharmaceuticals, Inc. (US) 2001-08-08 EP disclosed
WO-2000023409-A1 METHOD FOR SYNTHESIZING DIARYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS, INCLUDING TETRAHYDROFURANS LEUKOSITE, INC. (US) 2000-04-27 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-20020128491-A1 Method for synthesizing diaryl-substituted heterocyclic compounds, including tetrahydrofurans TPMT, TPI1, GTF2I HTR1A 751/4885ADRA1D 4212/4885ADRA1A 3966/4885

“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.