SCHEMBL3546758

SCHEMBL3546758

CCC(CC)(CNC1CCCC1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.36
EPHX1 P07099 3/20 0.35
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DPP4 P27487 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
SCHEMBL3666819 0.79 EPHX2 (0.41) EPHX2NPSR1KDM4EPOLBEPHX1
Hydrochloric Acid SCHEMBL1458776 0.77 EPHX2 (0.40) EPHX2NPSR1KDM4EPOLBEPHX1
SCHEMBL1675868 0.77 EPHX2 (0.40) EPHX2NPSR1KDM4EPOLBEPHX1
SCHEMBL1560290 0.77 EPHX2 (0.40) EPHX2NPSR1KDM4EPOLBALDH1A1
SCHEMBL3546760 0.77 KDM4E (0.36) EPHX2KDM4EPOLBRECQLEPHX1
SCHEMBL13611600 0.72 KDM4E (0.44) NPSR1KDM4EPOLBALDH1A1THRB
SCHEMBL1675833 0.72 KDM4E (0.44) EPHX2NPSR1KDM4EPOLBALDH1A1
SCHEMBL19690609 0.72 NAAA (0.46) EPHX2NPSR1KDM4ERECQLEPHX1
SCHEMBL2477744 0.72 CYP4F2 (0.39) NPSR1KDM4EPOLBRECQLEPHX1
SCHEMBL1203989 0.71 POLB (0.46) EPHX2KDM4EPOLBRECQLALDH1A1

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 EPHX2 1438/4885NPSR1 876/4885KDM4E 3977/4885

“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.