SCHEMBL657253

SCHEMBL657253

CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ABCB1 P08183 1/20 0.43
ATM Q13315 1/20 0.43
FFAR1 O14842 1/20 0.42
HTT P42858 1/20 0.41
PTGER1 P34995 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SGMS2 Q8NHU3 2/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PPIA P62937 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL657429 0.92 ABCB1 (0.47) ABCB1HTTPTGER1MEN1KMT2A
SCHEMBL656116 0.88 KDM4E (0.47) KDM4EHTTPTGER1MEN1KMT2A
SCHEMBL657488 0.80 PDPK1 (0.50) ABCB1HTTMEN1KMT2ANPC1
SCHEMBL656693 0.78 KMT2A (0.55) MEN1KMT2ANPC1L3MBTL1
SCHEMBL10286709 0.78 MAPT (0.43) KDM4EABCB1MEN1KMT2ANPSR1
SCHEMBL657267 0.77 L3MBTL1 (0.56) HTTMEN1KMT2ANPC1LMNA
SCHEMBL11130633 0.77 ABCB1 (0.49) ABCB1HTTPTGER1MEN1KMT2A
SCHEMBL657479 0.74 PDPK1 (0.56) MEN1KMT2ANPC1L3MBTL1
SCHEMBL657931 0.73 MAPT (0.48) MEN1KMT2ANPSR1NPC1LMNA
SCHEMBL377080 0.72 ABCB1 (0.61) ABCB1HTTPTGER1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB KDM4E 1893/4885ABCB1 2426/4885ATM 215/4885

“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.