SCHEMBL1682157

SCHEMBL1682157

COc1ccc(C(=O)C=Cc2c(OCc3ccccc3)cc(C)cc2OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.66
▸ PTPN1 P18031 1/20 0.55
▸ ABCG2 Q9UNQ0 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TNFRSF1A P19438 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HSPD1 P10809 1/20 0.54
▸ HSPE1 P61604 1/20 0.54
▸ CYP1B1 Q16678 1/20 0.54
▸ GPR52 Q9Y2T5 1/20 0.52
▸ BCHE P06276 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51

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
SCHEMBL3407233 0.87 MAOB (0.49) MAOBPTPN1ABCG2ALDH1A1MEN1
SCHEMBL17237769 0.87 MAOB (0.67) MAOBPTPN1ABCG2ALDH1A1MEN1
SCHEMBL27705774 0.85 MAOB (0.71) MAOBPTPN1ABCG2ALDH1A1MEN1
SCHEMBL27705775 0.85 MAOB (0.71) MAOBPTPN1ABCG2ALDH1A1MEN1
SCHEMBL27799479 0.83 HDAC8 (0.73) MAOBPTPN1ABCG2ALDH1A1MEN1
SCHEMBL27799480 0.83 HDAC8 (0.73) MAOBPTPN1ABCG2ALDH1A1MEN1
SCHEMBL8052896 0.83 MAOB (0.61) MAOBPTPN1ABCG2ALDH1A1MEN1
SCHEMBL5126236 0.82 MAOB (0.72) MAOBPTPN1ABCG2ALDH1A1MEN1
SCHEMBL12808163 0.82 MAOB (0.66) MAOBABCG2ALDH1A1MEN1MAPT
SCHEMBL30066572 0.82 MAOB (0.69) MAOBPTPN1ABCG2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SANOFI (FR) 2012-10-25 — — US disclosed
EP-2482823-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI (FR) 2012-08-08 — — EP disclosed
WO-2011039338-A2 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASES SANOFI-AVENTIS (FR) 2011-04-07 — — WO disclosed
US-20080108580-A1 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-05-08 — — US disclosed
US-7288528-B2 Aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-30 — — US disclosed
EP-1572707-A1 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICAL PRODUCTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-09-14 — — EP disclosed
US-20050014704-A1 Novel aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-20 — — US disclosed
WO-2004052902-A1 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, PHARMACEUTICAL PRODUCTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-24 — — 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 (3 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-20080108580-A1 NOVEL AROMATIC FLUOROGLYCOSIDE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SLC5A2, SLC5A1, UGGT1 MAOB 666/4885PTPN1 922/4885ABCG2 16/4885
US-20050014704-A1 Novel aromatic fluoroglycoside derivatives, medicaments containing these compounds, and the use thereof SLC5A2, SLC5A1, UGGT1 MAOB 666/4885PTPN1 922/4885ABCG2 16/4885
US-20120270819-A1 USE OF COMPOUNDS WITH SGLT-1/SGLT-2 INHIBITOR ACTIVITY FOR PRODUCING MEDICAMENTS FOR TREATMENT OF BONE DISEASE SLC5A1, SLC5A2, SOST MAOB 2914/4885PTPN1 895/4885ABCG2 636/4885

“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.

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