SCHEMBL5111017

SCHEMBL5111017

CCOC(=O)C1CC2(CCC2)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 8/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RECQL P46063 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL15684078 0.95 ALDH1A1 (0.45) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL15416184 0.94 MAPT (0.43) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL14730720 0.91 TLR4 (0.43) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL14731543 0.87 TLR4 (0.39) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL14033344 0.86 TLR4 (0.44) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL10051484 0.82 TLR4 (0.44) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL19140550 0.82 ALDH1A1 (0.35) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL10019501 0.82 TLR4 (0.44) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL1338366 0.81 ALDH1A1 (0.45) TLR4MAPTALDH1A1MEN1KMT2A
SCHEMBL1700776 0.80 ALDH1A1 (0.41) TLR4MAPTALDH1A1MEN1KMT2A

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 8 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-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026162-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 WO disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 WO disclosed
US-7439263-B2 Pyrrolidine and thiazolidine compounds LES LABORATOIRES SERVIER (FR) 2008-10-21 US disclosed
US-20050261501-A1 Pyrrolidine and thiazolidine compounds LES LABORATOIRES SERVIER (FR) 2005-11-24 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 (3 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-20050261501-A1 Pyrrolidine and thiazolidine compounds DPP4, DPP3, NR4A1 TLR4 604/4885MAPT 4424/4885ALDH1A1 653/4885
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 TLR4 4121/4885MAPT 4686/4885ALDH1A1 1605/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 TLR4 3980/4885MAPT 4556/4885ALDH1A1 773/4885

“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.