SCHEMBL14730718

SCHEMBL14730718

COC(=O)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALOX15 P16050 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GSK3B P49841 2/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
MDH2 P40926 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KIF11 P52732 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPKAPK2 P49137 3/20 0.44
PARP1 P09874 2/20 0.44
NPC1 O15118 1/20 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
SCHEMBL14730692 0.93 KDM4E (0.50) HSD17B10KDM4EALOX15L3MBTL1MAPT
SCHEMBL14730719 0.86 KDM4E (0.44) HSD17B10KDM4EALOX15L3MBTL1MAPT
SCHEMBL14730760 0.84 KDM4E (0.50) HSD17B10KDM4EALOX15L3MBTL1MAPT
SCHEMBL13248585 0.81 MAPKAPK2 (0.69) HSD17B10KDM4EALOX15L3MBTL1MAPT
SCHEMBL14730786 0.80 CCNB2 (0.47) HSD17B10KDM4EALOX15L3MBTL1MAPT
SCHEMBL6070647 0.80 KDM4E (0.72) HSD17B10KDM4EALOX15L3MBTL1MAPT
SCHEMBL14730680 0.78 GSK3B (0.46) HSD17B10KDM4EALOX15L3MBTL1MAPT
SCHEMBL14730710 0.77 KDR (0.45) PARP1NPC1RAB9AFLT3JAK2
SCHEMBL14730811 0.77 LMNA (0.45) KDM4EALOX15L3MBTL1MAPTGSK3B
SCHEMBL14730759 0.77 LMNA (0.60) HSD17B10KDM4EMAPTSMN1; SMN2GSK3B

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 HSD17B10 611/4885KDM4E 4061/4885ALOX15 3481/4885

“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.