SCHEMBL4047739

SCHEMBL4047739

CCCCN(C(=O)CC#N)C(=O)NC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX1 P07099 12/20 0.40
EPHX2 P34913 2/20 0.40

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
SCHEMBL9140846 0.77 MCL1 (0.36) GAA
SCHEMBL30943031 0.76 MEN1 (0.37) EPHX1EPHX2
SCHEMBL5076250 0.76 MCL1 (0.42) GAAEPHX1
SCHEMBL14424448 0.72 EPHX1 (0.51) EPHX1EPHX2
SCHEMBL5078153 0.70 EPHX1 (0.43) EPHX1EPHX2
SCHEMBL28863518 0.70 KMT2A (0.47) POLBGAATDP1
SCHEMBL28004819 0.70 EPHX1 (0.49) EPHX1EPHX2
SCHEMBL3483037 0.70 EPHX1 (0.45) EPHX1EPHX2
SCHEMBL14424480 0.68 EPHX1 (0.54) EPHX1EPHX2
SCHEMBL4046183 0.68 NAAA (0.38) EPHX1EPHX2

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
EP-1713815-A4 PTH AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-03-11 EP disclosed
US-20070099940-A1 Pth agonists SPEARING PAUL K 2007-05-03 US disclosed
EP-1713815-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077959-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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-20070099940-A1 Pth agonists PTH1R, CALCR, SSTR3 POLB 4593/4885GAA 4790/4885TDP1 4854/4885

“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.