SCHEMBL657948

SCHEMBL657948

CC(=O)OCOC(=O)C(C(=O)OCOC(C)=O)C(CC(=O)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.50
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MGAM O43451 4/20 0.45
GAA P10253 4/20 0.45
SI P14410 4/20 0.45
MGAM2 Q2M2H8 4/20 0.45
GLA P06280 1/20 0.44
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CES2 O00748 1/20 0.38

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
SCHEMBL656362 0.91 ALDH1A1 (0.48) PDPK1HPGDKDM4EMGAMGAA
SCHEMBL656638 0.86 PDPK1 (0.53) PDPK1HPGDKDM4ESMN1; SMN2MGAM
SCHEMBL657975 0.85 PDPK1 (0.69) PDPK1HPGDKDM4ESMN1; SMN2MGAM
SCHEMBL657803 0.84 PDPK1 (0.47) PDPK1SMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL658600 0.83 PDPK1 (0.48) PDPK1HPGDNPC1MAPTKMT2A
SCHEMBL657246 0.81 PDPK1 (0.71) PDPK1HPGDKDM4ESMN1; SMN2MGAM
SCHEMBL657387 0.81 PDPK1 (0.58) PDPK1HPGDKDM4ESMN1; SMN2MGAM
SCHEMBL10252937 0.81 L3MBTL1 (0.43) PDPK1HPGDKDM4ESMN1; SMN2MGAM
SCHEMBL657351 0.80 PDPK1 (0.67) PDPK1SMN1; SMN2PTPN1ALDH1A1MAPT
SCHEMBL657195 0.78 PDPK1 (0.49) PDPK1HPGDKDM4ESMN1; SMN2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP claimed
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 109/4885HPGD 4359/4885KDM4E 1893/4885

“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.