SCHEMBL2946744

SCHEMBL2946744

COC(=O)C1CCC(CN2CCCC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL2946742 1.00 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL2942363 0.82 TSHR (0.45) KDM4EL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL2942362 0.82 TSHR (0.45) KDM4EL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL7384750 0.81 KDM4E (0.52) KDM4EL3MBTL1TSHRKMT2APIK3CD
SCHEMBL6893049 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2BRD4TP53GAA
SCHEMBL6893054 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2BRD4TP53GAA
SCHEMBL13745122 0.77 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL22340247 0.77 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL26114095 0.77 TP53 (0.41) KDM4EALDH1A1SMN1; SMN2BRD4TP53
SCHEMBL14835319 0.76 L3MBTL1 (0.48) KDM4EL3MBTL1TSHRKMT2APIK3CD

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
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 EP 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 (2 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-20050282808-A1 Benzofuran derivative F12, F2, F11 KDM4E 1427/4885L3MBTL1 4087/4885ALDH1A1 683/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 KDM4E 1464/4885L3MBTL1 4101/4885ALDH1A1 693/4885

“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.