SCHEMBL6940369

SCHEMBL6940369

CCCOc1c(I)cc(C=O)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 4/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
TACR2 P21452 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MAPT P10636 2/20 0.39
FFAR1 O14842 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 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
SCHEMBL9692061 0.83 ALDH1A1 (0.52) MAOAMAOBKDM4EL3MBTL1ALDH1A1
SCHEMBL9099598 0.83 MAOA (0.42) MAOAMAOBLMNAKDM4EHTR1A
SCHEMBL8110374 0.80 ALDH1A1 (0.47) LMNAKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4045055 0.79 MAOA (0.57) MAOAMAOBLMNAKDM4ETACR2
SCHEMBL11734711 0.79 TACR2 (0.60) MAOAMAOBLMNAKDM4EHTR1A
SCHEMBL4621810 0.79 TACR2 (0.60) MAOAMAOBLMNAKDM4EHTR1A
SCHEMBL30822591 0.78 MAOA (0.56) MAOAMAOBLMNAKDM4ETACR2
SCHEMBL1269938 0.78 MAOA (0.56) MAOAMAOBLMNAKDM4ETACR2
SCHEMBL11331941 0.78 PDCD1 (0.59) MAOAMAOBKDM4EHTR1AADRA1D
SCHEMBL6942585 0.78 SIRT1 (0.61) MAOAMAOBLMNAKDM4EL3MBTL1

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 MAOA 1212/4885MAOB 1415/4885LMNA 4124/4885

“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.