SCHEMBL657429

SCHEMBL657429

CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccccc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
HTT P42858 1/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SGMS2 Q8NHU3 2/20 0.44
PTGER1 P34995 1/20 0.44
PPIA P62937 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PARP1 P09874 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL657253 0.92 KDM4E (0.46) ABCB1HTTNPC1MEN1KMT2A
SCHEMBL657488 0.87 PDPK1 (0.50) ABCB1HTTNPC1MEN1KMT2A
SCHEMBL11130633 0.81 ABCB1 (0.49) ABCB1HTTNPC1MEN1KMT2A
SCHEMBL656116 0.79 KDM4E (0.47) HTTNPC1MEN1KMT2ASGMS2
SCHEMBL9785911 0.79 ALDH1A1 (0.47) ABCB1NPC1MEN1KMT2ALMNA
SCHEMBL7109210 0.78 KMT2A (0.67) HTTNPC1MEN1KMT2ALMNA
SCHEMBL377080 0.76 ABCB1 (0.61) ABCB1HTTNPC1MEN1KMT2A
SCHEMBL340937 0.76 HTT (0.69) HTTNPC1MEN1KMT2AL3MBTL1
SCHEMBL657882 0.75 NPC1 (0.55) NPC1MEN1KMT2AHPGDRAB9A
SCHEMBL9785916 0.75 MEN1 (0.53) NPC1MEN1KMT2AGAASMN1; SMN2

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 ABCB1 2426/4885HTT 3033/4885NPC1 2687/4885

“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.