SCHEMBL4863213

SCHEMBL4863213

CCOC(=O)CCC(=O)Nc1ccccc1C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
HSD17B10 Q99714 4/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TDP1 Q9NUW8 7/20 0.67
TSHR P16473 2/20 0.64
MAPK10 P53779 1/20 0.64
L3MBTL1 Q9Y468 5/20 0.63
ALDH1A1 P00352 4/20 0.62
MAPK1 P28482 1/20 0.62
LMNA P02545 2/20 0.59
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL1184790 0.93 KDM4E (0.66) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL4861758 0.89 SMN1; SMN2 (0.72) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL6997819 0.89 KDM4E (0.63) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL7632830 0.88 KDM4E (0.72) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL10501732 0.86 KDM4E (0.78) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL14085807 0.85 KDM4E (0.76) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL7632095 0.83 KDM4E (0.69) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL7633248 0.83 KDM4E (0.69) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL1281444 0.83 SMN1; SMN2 (0.69) KDM4EHSD17B10SMN1; SMN2TDP1TSHR
SCHEMBL1039949 0.83 KDM4E (0.69) KDM4EHSD17B10SMN1; SMN2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014008214-A1 BIARYL-CONTAINING COMPOUNDS AS INVERSE AGONISTS OF ROR-GAMMA RECEPTORS BIOGEN IDEC MA INC. (US) 2014-01-09 WO disclosed
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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 (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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 KDM4E 2044/4885HSD17B10 1075/4885SMN1; SMN2 2595/4885

“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.