SCHEMBL11529

SCHEMBL11529

CCN(C(=O)C(C)(C)OC)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TSHR P16473 3/20 0.58
GLA P06280 1/20 0.58
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 2/20 0.46
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4782885 0.83 ALDH1A1 (0.53) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL17333657 0.82 MEN1 (0.76) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL29184151 0.81 ALDH1A1 (0.63) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL28905923 0.80 ALDH1A1 (0.53) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11379 0.79 ALDH1A1 (0.61) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL8599685 0.78 BCL2A1 (0.42) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL31211562 0.77 ALDH1A1 (0.63) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL4560917 0.75 ALDH1A1 (0.56) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL7653262 0.75 ALDH1A1 (0.66) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL9614332 0.75 ALDH1A1 (0.59) ALDH1A1TSHRGLAMEN1KMT2A

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
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP ALDH1A1 1846/4885TSHR 3276/4885GLA 46/4885

“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.