SCHEMBL3546760

SCHEMBL3546760

CCCC(CC)(CNC1CCCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
EPHX1 P07099 8/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.34
DPP4 P27487 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 3/20 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
SCHEMBL3546758 0.77 EPHX2 (0.39) KDM4EPOLBEPHX1ALDH1A1RECQL
SCHEMBL3550648 0.73 ARG1 (0.33)
SCHEMBL580695 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2200625 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL13846152 0.72 SMN1; SMN2 (0.40) KDM4EPOLBEPHX1ALDH1A1DPP4
SCHEMBL3546762 0.71 EPHX1 (0.41) KDM4EPOLBEPHX1ALDH1A1RECQL
SCHEMBL21088943 0.70 EPHX1 (0.41) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
SCHEMBL9180645 0.70 ALDH1A1 (0.37) ALDH1A1
SCHEMBL21791674 0.70 KDM4E (0.38) KDM4EPOLBEPHX1ALDH1A1SMN1; SMN2
SCHEMBL9184201 0.68 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US 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 KDM4E 3977/4885POLB 3906/4885EPHX1 730/4885

“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.