SCHEMBL3536870

SCHEMBL3536870

CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC)c(C)c12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
KDM4E B2RXH2 6/20 0.63
HPGD P15428 4/20 0.63
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
PTGS2 P35354 3/20 0.56
NPSR1 Q6W5P4 3/20 0.55
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
PRNP P04156 1/20 0.53
HSD17B10 Q99714 1/20 0.52
ALOX5 P09917 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
SCHEMBL3539974 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3535665 0.86 KDM4E (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2836706 0.81 KDM4E (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29014527 0.81 GAA (0.59) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL20088184 0.80 GAA (0.80) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3543678 0.79 KDM4E (0.70) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL11834222 0.78 GAA (0.67) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3541034 0.78 MEN1 (0.65) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8872491 0.77 MEN1 (0.74) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL27593857 0.76 EDNRA (0.57) ALDH1A1KDM4EHPGDL3MBTL1PTGS2

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-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US disclosed
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2009-11-12 US disclosed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US disclosed
US-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 US disclosed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP disclosed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP disclosed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US disclosed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 ALDH1A1 189/4885KDM4E 2787/4885HPGD 584/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 ALDH1A1 189/4885KDM4E 2787/4885HPGD 584/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ALDH1A1 189/4885KDM4E 2787/4885HPGD 584/4885

“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.