SCHEMBL657931

SCHEMBL657931

CCOC(=O)C(C(=O)OC(C)(C)C)C(CC(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 1/20 0.48
PDPK1 O15530 3/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL656693 0.93 KMT2A (0.55) MAPTKMT2AMEN1NPC1PDPK1
SCHEMBL657479 0.88 PDPK1 (0.56) MAPTKMT2AMEN1NPC1PDPK1
SCHEMBL657267 0.86 L3MBTL1 (0.56) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL7109210 0.84 KMT2A (0.67) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL656131 0.81 PDPK1 (0.52) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL658879 0.80 KMT2A (0.55) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL657882 0.80 NPC1 (0.55) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL658260 0.80 KMT2A (0.52) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL658600 0.80 PDPK1 (0.48) MAPTKMT2AMEN1NPC1PDPK1
SCHEMBL658086 0.79 NPC1 (0.54) ALDH1A1KMT2AMEN1NPC1PDPK1

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 MAPT 964/4885ALDH1A1 4784/4885KMT2A 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.