SCHEMBL656638

SCHEMBL656638

CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.53
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MGAM O43451 4/20 0.47
GAA P10253 4/20 0.47
SI P14410 4/20 0.47
MGAM2 Q2M2H8 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PTPN1 P18031 1/20 0.46
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 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
SCHEMBL657387 0.94 PDPK1 (0.58) PDPK1NPC1MEN1KMT2AMGAM
SCHEMBL657072 0.90 ALDH1A1 (0.51) PDPK1NPC1MEN1KMT2AMGAM
SCHEMBL657195 0.90 PDPK1 (0.49) PDPK1NPC1MEN1KMT2AMGAM
SCHEMBL657948 0.86 PDPK1 (0.50) PDPK1NPC1MEN1KMT2AMGAM
SCHEMBL7109210 0.85 KMT2A (0.67) PDPK1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL657246 0.84 PDPK1 (0.71) PDPK1NPC1MGAMGAASI
SCHEMBL658086 0.83 NPC1 (0.54) PDPK1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL657882 0.82 NPC1 (0.55) PDPK1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL656693 0.82 KMT2A (0.55) PDPK1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL658879 0.82 KMT2A (0.55) PDPK1NPC1MEN1KMT2AALDH1A1

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 PDPK1 109/4885NPC1 2687/4885MEN1 2058/4885

“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.