SCHEMBL5031208

SCHEMBL5031208

CC1(C)C(OC(=O)c2ccccc2)CCN([O])C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.46
CHRNA7 P36544 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
TSHR P16473 2/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SLC18A3 Q16572 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL28501020 0.86 MEN1 (0.52) KMT2AMEN1GAACHRNA7HTR3E
SCHEMBL29022929 0.86 KMT2A (0.49) KMT2AMEN1GAACHRNA7HTR3E
SCHEMBL3722353 0.72 TSHR (0.47) KMT2AMEN1GAACHRNA7HTR3E
SCHEMBL7629693 0.71 TSHR (0.56) KMT2AMEN1GAACHRNA7HTR3E
SCHEMBL28699769 0.71 GAA (0.50) KMT2AMEN1GAACHRNA7HTR3E
SCHEMBL9370902 0.69 TSHR (0.47) KMT2AMEN1GAACHRNA7HTR3E
SCHEMBL309536 0.69 MAPT (0.78) KMT2AMEN1GAAMAPTCYP2C19
SCHEMBL29022975 0.69 MAPT (0.78) KMT2AMEN1GAAMAPTCYP2C19
SCHEMBL7629696 0.69 TSHR (0.56) KMT2AMEN1GAACHRNA7HTR3E
SCHEMBL51072 0.68 TSHR (0.70) KMT2AMEN1GAACHRNA7HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718590-A4 CATALYST SYSTEM FOR AEOROBIC OXIDATION OF PRIMARY AND SECONDARY ALCOHOLS. NUTRASWEET CO (US) 2008-02-27 EP claimed
US-20070078284-A1 Catalyst system for aerobic oxidation of primary and secondary alcohols THE NUTRASWEET COMPANY 2007-04-05 US claimed
EP-1718590-A1 CATALYST SYSTEM FOR AEOROBIC OXIDATION OF PRIMARY AND SECONDARY ALCOHOLS. The NutraSweet Company (US) 2006-11-08 EP claimed
WO-2005082825-A1 CATALYST SYSTEM FOR AEOROBIC OXIDATION OF PRIMARY AND SECONDARY ALCOHOLS. THE NUTRASWEET COMPANY (US) 2005-09-09 WO claimed

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-20070078284-A1 Catalyst system for aerobic oxidation of primary and secondary alcohols ADH1C, ADH1A, ADH5 KMT2A 551/4885MEN1 3170/4885GAA 3767/4885

“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.