SCHEMBL6944370

SCHEMBL6944370

CCCOc1c(OCc2ccccc2)cc(C2CCC(=O)O2)cc1SCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 5/20 0.37
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
NMT1 P30419 1/20 0.31
ABCB1 P08183 1/20 0.31

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
SCHEMBL6940399 0.85 PTAFR (0.39) PTAFRPDE4APDE4BPDE4CPDE4D
SCHEMBL6943291 0.81 PTAFR (0.53) PTAFRPDE4APDE4BPDE4CPDE4D
SCHEMBL9661992 0.69 PTAFR (0.48) PTAFR
SCHEMBL8752375 0.69 PTAFR (0.48) PTAFR
SCHEMBL10428975 0.65 MAPT (0.43) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL8752397 0.65 PTAFR (0.35) PTAFRKDM4EALDH1A1
SCHEMBL7664613 0.65 PTAFR (0.80) PTAFR
SCHEMBL7664605 0.65 PTAFR (0.80) PTAFR
SCHEMBL7664609 0.65 PTAFR (0.80) PTAFR
SCHEMBL10429002 0.64 PTAFR (0.63) PTAFR

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-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 PTAFR 2062/4885ADORA3 2493/4885ADORA1 3193/4885

“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.