SCHEMBL924527

SCHEMBL924527

O=C(O)c1ccc(=O)n(C2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.44
HCAR3 P49019 4/20 0.42
EPHX2 P34913 1/20 0.42
SRD5A2 P31213 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36

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
SCHEMBL924129 0.98 HSD17B10 (0.51) HSD17B10GAAKDM4EHCAR3EPHX2
SCHEMBL3160335 0.93 HSD17B10 (0.41) HSD17B10GAAKDM4EHCAR3EPHX2
SCHEMBL924794 0.85 USP2 (0.40) HSD17B10GAAKDM4EHCAR3EPHX2
SCHEMBL21063571 0.81 CHRNB2 (0.37) HSD17B10GAAKDM4ESRD5A2ALDH1A1
SCHEMBL14406963 0.81 TP53 (0.35) HSD17B10GAASRD5A2ALDH1A1HPGD
SCHEMBL924151 0.81 ALDH1A1 (0.52) HSD17B10GAAKDM4EEPHX2ALDH1A1
SCHEMBL21098659 0.80 KMT2A (0.36) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL924256 0.80 ALDH1A1 (0.54) HSD17B10GAAKDM4EEPHX2L3MBTL1
SCHEMBL1504828 0.78 HSD17B10 (0.43) HSD17B10GAAKDM4EALDH1A1KMT2A
SCHEMBL13522482 0.75 HSD17B10 (0.51) HSD17B10GAAKDM4EHCAR3EPHX2

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
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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 (2 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HSD17B10 1966/4885GAA 44/4885KDM4E 1391/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP HSD17B10 1966/4885GAA 44/4885KDM4E 1391/4885

“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.