SCHEMBL16248398

SCHEMBL16248398

CC(=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
KIF11 P52732 1/20 0.44
PARP1 P09874 1/20 0.42
MAPKAPK2 P49137 4/20 0.41
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ERBB2 P04626 4/20 0.36
GSK3B P49841 3/20 0.36
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
MDH2 P40926 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 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
SCHEMBL14730689 0.90 KDM4E (0.47) KIF11PARP1MAPKAPK2MAPTMEN1
SCHEMBL14730855 0.88 MAPKAPK2 (0.49) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL14730846 0.86 KDM4E (0.51) KIF11PARP1MAPKAPK2MAPK1MEN1
SCHEMBL14730732 0.81 KDM4E (0.43) MAPKAPK2MAPTMAPK1ALDH1A1KDM4E
SCHEMBL14730800 0.81 PARP1 (0.49) PARP1MAPKAPK2MAPTALDH1A1KMT2A
SCHEMBL14730798 0.81 RAB9A (0.44) MAPKAPK2NPC1RAB9AJAK2KDR
SCHEMBL14730729 0.80 KDM4E (0.48) MAPKAPK2MAPTMAPK1MEN1ALDH1A1
SCHEMBL14730766 0.79 RAB9A (0.47) NPC1RAB9AJAK2KDR
SCHEMBL14730768 0.79 RAB9A (0.50) MAPKAPK2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14730765 0.78 MAPKAPK2 (0.35) MAPKAPK2ALDH1A1KDM4E

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 2 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 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 (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 KIF11 3907/4885PARP1 3610/4885MAPKAPK2 4574/4885

“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.