SCHEMBL3449442

SCHEMBL3449442

CCC(C)C(=O)C1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NAAA Q02083 1/20 0.42
EPHX1 P07099 1/20 0.42
HSD11B1 P28845 1/20 0.39
SHBG P04278 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8224071 1.00 EPHX2 (0.42) EPHX2CES2CES1NAAAEPHX1
SCHEMBL19012246 0.89
SCHEMBL24221648 0.89 NPSR1 (0.37) EPHX2EPHX1GAA
SCHEMBL12838113 0.89
SCHEMBL805266 0.89
SCHEMBL5909767 0.85 CES2 (0.41) CES2CES1NAAAEPHX1HSD11B1
SCHEMBL18597007 0.83 NAAA (0.38) CES2CES1NAAAEPHX1HSD11B1
SCHEMBL18494027 0.83 NPSR1 (0.34) EPHX2EPHX1GAA
SCHEMBL3787105 0.81 POLB (0.38) GAAALDH1A1
SCHEMBL7183407 0.80 KDM4E (0.31) EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1316582-B1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO (JP) 2012-10-31 EP disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-7820261-B2 Polyvinyl alcohol resin composition and multilayer packages KURARAY CO., LTD. (JP) 2010-10-26 US disclosed
US-20070243351-A1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO. LTD. (JP) 2007-10-18 US disclosed
US-7255904-B2 Polyvinyl alcohol resin composition and multilayer packages KURARAY CO., LTD. (JP) 2007-08-14 US disclosed
EP-1316582-A1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO., LTD. (JP) 2003-06-04 EP disclosed
US-20030022974-A1 Polyvinyl alcohol resin composition and multilayer packages KURARAY CO., LTD. (JP) 2003-01-30 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 EPHX2 323/4885CES2 4310/4885CES1 2390/4885

“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.