SCHEMBL657882

SCHEMBL657882

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
PDPK1 O15530 4/20 0.51
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 4/20 0.43
F2 P00734 1/20 0.43
MMP8 P22894 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 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
SCHEMBL7109210 0.90 KMT2A (0.67) NPC1KMT2AMEN1PDPK1CYP2C9
SCHEMBL658879 0.86 KMT2A (0.55) NPC1KMT2AMEN1PDPK1RAB9A
SCHEMBL656693 0.86 KMT2A (0.55) NPC1KMT2AMEN1PDPK1CYP2C9
SCHEMBL657192 0.86 PDPK1 (0.68) NPC1KMT2AMEN1PDPK1CYP2C9
SCHEMBL658086 0.85 NPC1 (0.54) NPC1KMT2AMEN1PDPK1SMN1; SMN2
SCHEMBL7107026 0.83 KMT2A (0.61) NPC1KMT2AMEN1PDPK1CYP2C9
SCHEMBL657479 0.82 PDPK1 (0.56) NPC1KMT2AMEN1PDPK1CYP2C9
SCHEMBL656638 0.82 PDPK1 (0.53) NPC1KMT2AMEN1PDPK1SMN1; SMN2
SCHEMBL9785916 0.81 MEN1 (0.53) NPC1KMT2AMEN1PDPK1SMN1; SMN2
SCHEMBL657931 0.80 MAPT (0.48) NPC1KMT2AMEN1PDPK1CYP2C9

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 2687/4885KMT2A 1777/4885MEN1 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.