SCHEMBL10044905

SCHEMBL10044905

COc1cc2c(cc1OC)C(=C(C)C)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
MAOA P21397 1/20 0.45
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.42
CYP3A4 P08684 3/20 0.42
PTGS2 P35354 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 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
SCHEMBL22924991 0.89 MAOA (0.47) KDM4EALDH1A1MAPTGAAMAOA
SCHEMBL8024161 0.76 CYP19A1 (0.49) CYP19A1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL10044904 0.76 KDM4E (0.46) CYP19A1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL5045112 0.76 MAPT (0.62) CYP19A1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL10072157 0.74 CYP19A1 (0.48) CYP19A1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL424613 0.74 HSD17B1 (0.54) CYP19A1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL5472320 0.74 KDM4E (0.50) CYP19A1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL5472326 0.74 KDM4E (0.50) CYP19A1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL8002421 0.71 TNFSF11 (0.57) KDM4EALDH1A1MAOAKMT2AHSD17B10
SCHEMBL59900 0.71 MAPT (0.62) KDM4EALDH1A1MAPTGAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8268776-B2 mixture of cytochrome P450 monooxygenase inhibitor and protease inhibitor for anti-hepatitis C viral treatment; including other active drugs as interferon, ribavarin, and adamantine ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-07-31 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 US 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 (8 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-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS CYP19A1 462/4885CYP11B2 491/4885KDM4E 900/4885
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN CYP19A1 496/4885CYP11B2 614/4885KDM4E 893/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN CYP19A1 496/4885CYP11B2 614/4885KDM4E 893/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 CYP19A1 415/4885CYP11B2 588/4885KDM4E 769/4885
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS PREP, HCCS, PEPD CYP19A1 1007/4885CYP11B2 1036/4885KDM4E 2069/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 CYP19A1 1935/4885CYP11B2 2987/4885KDM4E 2045/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 CYP19A1 681/4885CYP11B2 835/4885KDM4E 905/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS CYP19A1 462/4885CYP11B2 491/4885KDM4E 900/4885

“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.