SCHEMBL10044912

SCHEMBL10044912

CC(C)=C1c2ccccc2Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SETD7 Q8WTS6 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
P2RX4 Q99571 2/20 0.38
ALOX5 P09917 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL7846454 0.98 KDM4E (0.43) KDM4EMAPK1ATMCYP1A2CYP2D6
SCHEMBL17175239 0.84 TDP1 (0.42) KDM4EMAPK1ATMMAOAMAOB
SCHEMBL11046636 0.81 DRD2 (0.44) MAPK1DRD2DRD4MEN1ALDH1A1
SCHEMBL5929519 0.78 DRD2 (0.43) KDM4EMAPK1ATMMAOADRD2
SCHEMBL19537981 0.75 MAPK1 (0.61) KDM4EMAPK1ATMCYP1A2CYP2D6
SCHEMBL5693983 0.75 MAPK1 (0.61) KDM4EMAPK1ATMCYP1A2CYP2D6
SCHEMBL2793464 0.74 MAPK1 (0.48) KDM4EMAPK1ATMCYP1A2CYP2D6
SCHEMBL29406907 0.73 MAPK1 (0.52) KDM4EMAPK1ATMCYP1A2CYP2D6
SCHEMBL302174 0.73 MAPK1 (0.52) KDM4EMAPK1ATMCYP1A2CYP2D6
SCHEMBL21908165 0.72 P2RX4 (0.45) KDM4EMAPK1ATMP2RX4ALOX5

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 33 patents — showing the first 20. 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-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-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8426360-B2 Carbocyclic oxime hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-8426360-B2 Carbocyclic oxime hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-04-23 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-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-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 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-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-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-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 (6 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 KDM4E 900/4885MAPK1 1727/4885ATM 4387/4885
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN KDM4E 893/4885MAPK1 1845/4885ATM 4005/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN KDM4E 893/4885MAPK1 1845/4885ATM 4005/4885
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS DPP4, PREP, PEPD KDM4E 759/4885MAPK1 2329/4885ATM 4646/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 KDM4E 769/4885MAPK1 1988/4885ATM 4277/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS KDM4E 900/4885MAPK1 1727/4885ATM 4387/4885

“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.