SCHEMBL14730719

SCHEMBL14730719

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 3/20 0.44
GSK3B P49841 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.42
GSK3A P49840 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14730680 0.92 GSK3B (0.46) KDM4EMAPTGSK3BHSD17B10L3MBTL1
SCHEMBL14730718 0.86 HSD17B10 (0.51) KDM4EMAPTGSK3BHSD17B10L3MBTL1
SCHEMBL14730710 0.81 KDR (0.45) PARP1FLT3
SCHEMBL3005560 0.81 KDM4E (0.46) KDM4EMAPTGSK3BHSD17B10L3MBTL1
SCHEMBL14730759 0.81 LMNA (0.60) KDM4EMAPTGSK3BHSD17B10CCNB2
SCHEMBL13248584 0.79 MAPKAPK2 (0.64) KDM4EMAPTGSK3BHSD17B10L3MBTL1
SCHEMBL14730811 0.79 LMNA (0.45) KDM4EMAPTGSK3BL3MBTL1ALOX15
SCHEMBL14730692 0.78 KDM4E (0.50) KDM4EMAPTGSK3BHSD17B10L3MBTL1
SCHEMBL3001898 0.78 KDM4E (0.64) KDM4EMAPTGSK3BHSD17B10L3MBTL1
SCHEMBL14730707 0.77 MAPKAPK2 (0.42) KDM4EMAPTGSK3BHSD17B10L3MBTL1

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 4061/4885MAPT 4686/4885GSK3B 1961/4885

“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.