SCHEMBL658086

SCHEMBL658086

CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PDPK1 O15530 3/20 0.50
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MMP1 P03956 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PARP10 Q53GL7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL7109210 0.89 KMT2A (0.67) NPC1MEN1KMT2APDPK1HPGD
SCHEMBL657803 0.86 PDPK1 (0.47) NPC1MEN1KMT2APDPK1ERCC5
SCHEMBL656693 0.85 KMT2A (0.55) NPC1MEN1KMT2APDPK1HPGD
SCHEMBL657882 0.85 NPC1 (0.55) NPC1MEN1KMT2APDPK1HPGD
SCHEMBL658879 0.85 KMT2A (0.55) NPC1MEN1KMT2APDPK1HPGD
SCHEMBL657084 0.85 PDPK1 (0.68) PDPK1ERCC5FEN1PPARGPPARA
SCHEMBL13385683 0.85 PDPK1 (0.56) KMT2APDPK1ERCC5FEN1MMP1
SCHEMBL656638 0.83 PDPK1 (0.53) NPC1MEN1KMT2APDPK1HPGD
SCHEMBL7107026 0.82 KMT2A (0.61) NPC1MEN1KMT2APDPK1HPGD
SCHEMBL657072 0.82 ALDH1A1 (0.51) NPC1MEN1KMT2APDPK1HPGD

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 NPC1 2687/4885MEN1 2058/4885KMT2A 1777/4885

“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.