SCHEMBL967567

SCHEMBL967567

C=CCOCC(=O)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
PARP1 P09874 1/20 0.45
GLA P06280 1/20 0.43
OGG1 O15527 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 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
SCHEMBL1711979 0.82 ERCC5 (0.49) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL1712729 0.80 TDP1 (0.47) TDP1L3MBTL1MEN1NPC1KMT2A
SCHEMBL18192832 0.79 ALDH1A1 (0.40) TDP1L3MBTL1CTDSP1ALDH1A1KDM4E
SCHEMBL18192830 0.79 ALDH1A1 (0.40) TDP1L3MBTL1CTDSP1ALDH1A1KDM4E
SCHEMBL31688807 0.78 KDM4E (0.55) TDP1L3MBTL1CTDSP1ALDH1A1KDM4E
SCHEMBL4428838 0.78 KDM4E (0.55) TDP1L3MBTL1CTDSP1ALDH1A1KDM4E
SCHEMBL18192844 0.78 CTDSP1 (0.33) TDP1L3MBTL1CTDSP1NPC1KDM4E
SCHEMBL7626205 0.77 RXFP1 (0.51) TDP1L3MBTL1MEN1NPC1KMT2A
SCHEMBL18192896 0.77 KDM4E (0.37) NPC1ALDH1A1KDM4EGAAHPGD
SCHEMBL12647390 0.76 MEN1 (0.51) TDP1L3MBTL1CTDSP1MEN1NPC1

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-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP TDP1 279/4885L3MBTL1 3403/4885CTDSP1 1830/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP TDP1 279/4885L3MBTL1 3403/4885CTDSP1 1830/4885

“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.