SCHEMBL16248383

SCHEMBL16248383

CCOC(=O)CCC1(CCC(C)=O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 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
SCHEMBL5109822 0.93 CYP1A2 (0.44) CYP1A2MGAMGAASIMGAM2
SCHEMBL23484497 0.89 CYP1A2 (0.44) CYP1A2MGAMGAASIMGAM2
SCHEMBL23484397 0.87 CYP1A2 (0.42) CYP1A2MGAMGAASIMGAM2
SCHEMBL5103655 0.86 CYP1A2 (0.39) CYP1A2MGAMGAASIMGAM2
SCHEMBL1863674 0.85 CYP1A2 (0.47) CYP1A2MGAMGAASIMGAM2
SCHEMBL14032871 0.84 CYP1A2 (0.40) CYP1A2MGAMGAASIMGAM2
SCHEMBL27988047 0.83 KDM4E (0.36) CYP1A2MGAMGAASIMGAM2
SCHEMBL9013508 0.79 DGKA (0.40) CYP1A2TSHRKDM4E
SCHEMBL5097106 0.79 CYP1A2 (0.41) CYP1A2MGAMGAASIMGAM2
SCHEMBL16323800 0.77 CYP1A2 (0.42) CYP1A2MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP1A2 466/4885MGAM 4111/4885GAA 3419/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 CYP1A2 43/4885MGAM 4517/4885GAA 2308/4885

“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.