SCHEMBL4743859

SCHEMBL4743859

CCC(C)(CC(C)=O)CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
TSHR P16473 5/20 0.37
HSD17B10 Q99714 2/20 0.35
RECQL P46063 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TET2 Q6N021 1/20 0.33
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL2151978 0.87 TSHR (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL13260906 0.85 MGAM (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL2612031 0.84 ALDH1A1 (0.42) TSHRALDH1A1TDP1
SCHEMBL9130674 0.83 ALDH1A1 (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL17933420 0.79 ALDH1A1 (0.42) TSHRALDH1A1TDP1
SCHEMBL12141327 0.78 ALDH1A1 (0.33) MGAMGAASIMGAM2TSHR
SCHEMBL10892814 0.76 TSHR (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL11026137 0.76 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL4783944 0.76 HMGCR (0.44) TSHRMEN1KMT2ATET2LMNA
SCHEMBL16587771 0.76 HMGCR (0.44) TSHRMEN1KMT2ATET2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099019-A1 6-HYDROXY-DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
WO-2008099019-A1 6-HYDROXY-DIBENZODIAZEPINONES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 WO disclosed
US-20060014826-A1 Dioxocyclohexane carboxylic acid phenyl amide derivatives for modulating voltage-gated potassium channels and pharmaceutical compositions containing the same WYETH (US) 2006-01-19 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-20060014826-A1 Dioxocyclohexane carboxylic acid phenyl amide derivatives for modulating voltage-gated potassium channels and pharmaceutical compositions containing the same KCNC1, KCNA1, KCNH2 MGAM 4667/4885GAA 2368/4885SI 3284/4885

“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.