SCHEMBL8025112

SCHEMBL8025112

C=C1CCOc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP19A1 P11511 1/20 0.39
THRB P10828 1/20 0.37
NOTUM Q6P988 1/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 3/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL26714187 0.85 ESR1 (0.42) FABP6KDM4EALDH1A1L3MBTL1MAOB
SCHEMBL769330 0.78 FABP6 (0.58) FABP6KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL28840754 0.78 LMNA (0.47) MAPTCYP19A1PIK3CAPIK3CBPIK3CG
SCHEMBL18533322 0.78 PRKCI (0.32) KDM4EALDH1A1L3MBTL1NOTUMNPSR1
SCHEMBL12443521 0.78 MAOA (0.50) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL12389054 0.78 PIK3CA (0.43) ALDH1A1MAPTNPC1RAB9ACYP19A1
SCHEMBL18533270 0.78 CTSL (0.48) MAPTNPC1RAB9ACYP19A1NOTUM
SCHEMBL10434491 0.78 KDM4E (0.51) FABP6KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL10508276 0.78 FABP6 (0.50) FABP6KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL13846686 0.78 MAPT (0.46) KDM4EALDH1A1L3MBTL1MAPTNPC1

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 11 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-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
WO-2009076166-A2 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009076173-A2 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009073780-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
WO-2008134398-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-07-31 US disclosed
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
WO-2007143694-A2 MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-13 WO 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

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-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN FABP6 1526/4885KDM4E 893/4885ALDH1A1 938/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN FABP6 1526/4885KDM4E 893/4885ALDH1A1 938/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 FABP6 1865/4885KDM4E 769/4885ALDH1A1 907/4885

“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.