SCHEMBL6942585

SCHEMBL6942585

O=Cc1cc(I)c(O)c(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.61
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
FFAR1 O14842 1/20 0.46
ERN1 O75460 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
POLB P06746 2/20 0.41
UBE2N P61088 1/20 0.41

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
SCHEMBL13907556 0.84 ERN1 (0.51) SIRT1MAOAMAOBERN1L3MBTL1
SCHEMBL9099618 0.83 SIRT1 (0.61) SIRT1MAOAMAOBERN1L3MBTL1
SCHEMBL25023083 0.83 MAOA (0.49) SIRT1MAOAMAOBERN1L3MBTL1
SCHEMBL30821579 0.83 NPC1 (0.52) SIRT1MAOAMAOBERN1L3MBTL1
SCHEMBL21634284 0.83 NPC1 (0.52) SIRT1MAOAMAOBERN1L3MBTL1
SCHEMBL27428220 0.81 MAOA (0.56) SIRT1MAOAMAOBFFAR1L3MBTL1
SCHEMBL1269938 0.81 MAOA (0.56) SIRT1MAOAMAOBFFAR1L3MBTL1
SCHEMBL30822591 0.81 MAOA (0.56) SIRT1MAOAMAOBFFAR1L3MBTL1
SCHEMBL38660166 0.80 ERN1 (0.57) SIRT1MAOAMAOBFFAR1ERN1
SCHEMBL9102503 0.80 MAOA (0.46) SIRT1MAOAMAOBERN1L3MBTL1

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 SIRT1 1428/4885MAOA 1212/4885MAOB 1415/4885

“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.