SCHEMBL11531

SCHEMBL11531

CCN(C(=O)C(C)C)c1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
ESR1 P03372 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 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
SCHEMBL20308881 0.88 ESR1 (0.44) LMNAMAPTESR1KMT2AMEN1
SCHEMBL20264528 0.86 ALDH1A1 (0.47) LMNAMAPTESR1KMT2AMEN1
SCHEMBL29940280 0.86 ALDH1A1 (0.47) LMNAMAPTESR1KMT2AMEN1
SCHEMBL30994793 0.82 ESR1 (0.49) ESR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL10941845 0.82 ESR1 (0.49) LMNAESR1KMT2AMEN1ALDH1A1
SCHEMBL11722894 0.81 MEN1 (0.48) LMNAMAPTESR1KMT2AMEN1
SCHEMBL11250 0.81 ALDH1A1 (0.51) MAPTESR1KMT2AMEN1ALDH1A1
SCHEMBL4286533 0.81 ESR1 (0.48) LMNAESR1KMT2AMEN1ALDH1A1
SCHEMBL9998613 0.79 ESR1 (0.43) LMNAMAPTESR1KMT2AMEN1
SCHEMBL9998969 0.79 ESR1 (0.43) LMNAMAPTESR1KMT2AMEN1

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 LMNA 1486/4885MAPT 809/4885ESR1 1871/4885

“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.