SCHEMBL14730846

SCHEMBL14730846

COC(=O)c1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
MDH2 P40926 1/20 0.51
GSK3B P49841 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
KIF11 P52732 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 2/20 0.44
FLT3 P36888 1/20 0.44
MAPKAPK2 P49137 3/20 0.44

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
SCHEMBL14730786 0.88 CCNB2 (0.47) KDM4EALDH1A1HSD17B10HPGDCCNB2
SCHEMBL14730689 0.86 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDCCNB2
SCHEMBL16248398 0.86 KIF11 (0.44) KDM4EALDH1A1HSD17B10CCNB2CDK1
SCHEMBL14730855 0.85 MAPKAPK2 (0.49) KDM4EHSD17B10CCNB2CDK1CCNB1
SCHEMBL14730729 0.83 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL3002604 0.82 MAPKAPK2 (0.67) KDM4EALDH1A1HSD17B10HPGDCCNB2
SCHEMBL14730760 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDCCNB2
SCHEMBL14730732 0.81 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDMAPKAPK2
SCHEMBL14730800 0.80 PARP1 (0.49) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL14730798 0.80 RAB9A (0.44) NPC1RAB9AMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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 (1 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 KDM4E 4061/4885ALDH1A1 1605/4885HSD17B10 611/4885

“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.