SCHEMBL3546762

SCHEMBL3546762

CCC(CNC1CCCC1)(C(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 4/20 0.36

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
SCHEMBL3550650 0.75 ARG1 (0.31)
SCHEMBL2303259 0.72 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2D6
SCHEMBL13846152 0.72 SMN1; SMN2 (0.40) EPHX1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL3546760 0.71 KDM4E (0.36) EPHX1ALDH1A1SMN1; SMN2RECQLKDM4E
SCHEMBL21088943 0.70 EPHX1 (0.41) EPHX1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL19138721 0.68 SHBG (0.36) EPHX1ALDH1A1SMN1; SMN2RECQLKDM4E
SCHEMBL3546758 0.67 EPHX2 (0.39) EPHX1ALDH1A1RECQLKDM4EPOLB
SCHEMBL16290076 0.67 EPHX1 (0.40) EPHX1ALDH1A1SMN1; SMN2RECQLLMNA
SCHEMBL19996808 0.66 KDM4E (0.42) EPHX1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL23451474 0.65

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 EPHX1 730/4885ALDH1A1 422/4885SMN1; SMN2 1059/4885

“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.