SCHEMBL11248

SCHEMBL11248

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 2/20 0.58
GLA P06280 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.46
HTT P42858 1/20 0.43
GHSR Q92847 1/20 0.42
MLYCD O95822 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL11404181 0.83 ALDH1A1 (0.55) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL18765958 0.82 ALDH1A1 (0.66) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL11618038 0.79 ALDH1A1 (0.61) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL7497334 0.79 ALDH1A1 (0.61) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL10951512 0.79 ALDH1A1 (0.61) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL4055696 0.79 ALDH1A1 (0.61) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL9223060 0.78 ALDH1A1 (0.59) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL28389819 0.77 ALDH1A1 (0.63) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL11897377 0.77 ALDH1A1 (0.63) ALDH1A1TSHRGLASMN1; SMN2KDM4E
SCHEMBL29216481 0.77 ALDH1A1 (0.69) ALDH1A1TSHRGLASMN1; SMN2KDM4E

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.